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Use of nuclear magnetic resonance to identify ligands to target biomolecules (Thu, 31 Jul 1997)
The present invention provides a process for identifying compounds which bind to a specific target molecule. The process includes the steps of: a) generating a first two-dimensional ?15¿N/?1¿H NMR correlation spectrum of a ?15¿N-labeled target molecule; b) exposing the labeled target molecule to one or a mixture of chemical compounds; c) generating a second two-dimensional ?15¿N/?1¿H NMR correlation spectrum of the labeled target molecule that has been exposed to one or a mixture of compounds in step (b); and d) comparing said first and second two-dimensional ?15¿N/?1¿H NMR correlation spectra to determine differences between said first and said second spectra, the differences indentifying the presence of one or more compounds that are ligands which have bound to the target molecule.
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Use of nuclear magnetic resonance to design ligands to target biomolecules (Thu, 31 Jul 1997)
The present invention provides a process of designing compounds which bind to a specific target molecule. The process includes the steps of a) identifying a first ligand to the target molecule using two-dimensional ?15¿N/?1¿H NMR correlation spectroscopy; b) identifying a second ligand to the target molecule using two-dimensional ?15¿N/?1¿H NMR correlation spectroscopy; c) forming a ternary complex by binding the first and second ligands to the target molecule; d) determining the three-dimensional structure of the ternary complex and thus the spatial orientation of the first and second ligands on the target molecule; and e) linking the first and second ligands to form the drug, wherein the spatial orientation of step (d) is maintained.
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Use of 13C-NMR to detect binding (Thu, 11 Jan 2001)
Methods of detecting binding of a putative ligand to a ?13¿C-enriched target molecule, methods of screening for compounds which bind to a ?13¿C-enriched target molecule, methods for calculating the dissociation constant of a ligand compound which binds to a ?13¿C-enriched target molecule, and methods employed in the determination of the specific amino acids in a ?13¿C-enriched target molecule affected by the binding of a ligand, as well as compounds identified by these screening methods, are provided herewith.
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Use of one-dimensional nuclear magnetic resonance to identify ligands to target biomolecules (Thu, 06 May 2004)
The present invention provides a process for identifying compounds which bind to a secific target molecule. The process comprises the steps of: a) generating a first T2- or diffusion-filtered proton spectrum of one or a mixture of chemical compounds; b) exposing one or a mixture of chemical compounds to the target molecule; c) generating a second T2- or diffusion-filtered proton spectrum of one or a mixture of chemical compounds that has been exposed to the target molecule in step and d) comparing said first and second T2- or diffusion-filtered proton spectra to determine differences between said first and said second spectra, the differences identifying the presence of one or more compounds that are ligands which have bound to the target molecule. [R:\LIBW]482780.doc:kym
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INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (Fri, 27 Apr 2012)
Patent 577348 Disclosed is a poly(ADP-ribose)polymerase compound of formula (Ik), wherein the substituents are as defined within the specification. An example of a compound of formula (Ik) includes 1-(2-fluoro-5-((4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl)phenyl)pyrrolidine-2,5-dione. Further disclosed is a pharmaceutical composition comprising a compound of formula (Ik), and the use of a compound of formula (Ik) for treating cancer and reducing tumour volume.
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Anvendelse af kernemagnetisk resonans til identifikation af ligander til mål-biomolekyler (Mon, 10 Dec 2007)
The present invention provides a process for identifying compounds which bind to a specific target molecule. The process includes the steps of: a) generating a first two-dimensional ?15¿N/?1¿H NMR correlation spectrum of a ?15¿N-labeled target molecule; b) exposing the labeled target molecule to one or a mixture of chemical compounds; c) generating a second two-dimensional ?15¿N/?1¿H NMR correlation spectrum of the labeled target molecule that has been exposed to one or a mixture of compounds in step (b); and d) comparing said first and second two-dimensional ?15¿N/?1¿H NMR correlation spectra to determine differences between said first and said second spectra, the differences indentifying the presence of one or more compounds that are ligands which have bound to the target molecule.
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Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme (Fri, 30 Mar 2012)
Patent 577112 Disclosed are compounds of formula (I) where A is a heterobicyclic moiety (also pictured), and pharmaceutically acceptable salts thereof. Specific examples of compounds of formula (I) are Trans {4-[4-(7-amino-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl} acetic acid, Trans {4-[4-(7-amino-2-thien-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]cyclohexyl} acetic acid, and Trans {4-[4-(7-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)phenyI]cyclohexyl} acetic acid. Also disclosed is the use of compounds of formula (I) as pharmaceutical compositions for treating type 2 diabetes, obesity, elevated plasma triglycerides, metabolic syndrome, non-alcoholic steatohepatitis, and non-alcoholic fatty liver disease.
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Anvendelse af nuclear magnetisk resonans til design af ligander rettet mod biomolekyler (Mon, 26 Feb 2007)
The present invention provides a process of designing compounds which bind to a specific target molecule. The process includes the steps of a) identifying a first ligand to the target molecule using two-dimensional ?15¿N/?1¿H NMR correlation spectroscopy; b) identifying a second ligand to the target molecule using two-dimensional ?15¿N/?1¿H NMR correlation spectroscopy; c) forming a ternary complex by binding the first and second ligands to the target molecule; d) determining the three-dimensional structure of the ternary complex and thus the spatial orientation of the first and second ligands on the target molecule; and e) linking the first and second ligands to form the drug, wherein the spatial orientation of step (d) is maintained.
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INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME (Fri, 27 Jan 2012)
Patent 580662 Discloses an amine and acetylene substituted [1,2,4] triazole [1,5,-a] pyrimidine compound or pharmaceutically acceptable salts, esters, or amides, salts of pharmaceutically acceptable esters or amides, or a combination thereof, with the general structure (I) with reference to the drawing where R1 is hydrogen or alkyl; R2 is hydrogen, aryl, heteroaryl, cycloalkyl, or heterocycle; R3 is cycloalkyl, aryl, heteroaryl, heterocycle, -(CRaRb)m-R4, -C(O)OR5,-C(R5)=N-O(Ry), -C(O)-R5, or -C(O)-N(R5)(R6). Further discloses the use of the compound or derivatives thereof for the manufacture of a medicament for treating diabetes, obesity or lipid associated conditions. The disclosed compound inhibits the activity of diacylglycerol O-acyltransferase type 1 enzyme.
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Thienopyridine and furopyridine kinase inhibitors (Fri, 25 Sep 2009)
Patent 544712 Disclosed are compounds of formula (I) wherein: X is S; Z is C; R1 and R3 are as described in the specification; and R2 is hydrogen or alkyl. Compounds of the type disclosed are tyrosine kinase inhibitors useful in the treatment of cancer.
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INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME (Fri, 24 Feb 2012)
Patent 580660 Disclosed herein are compounds of formula (I), wherein G1 is phenyl or pyridinyl, and the other substituents are as defined within the specification, processes for its preparation and uses thereof. Said compounds are useful as inhibitors of diacylglycerol O-acyltransferase type 1 (DGAT-1) enzyme and are therefore useful in the treatment of diseases related thereof, such as type 2 diabetes, obesity, elevated plasma triglycerides, metabolic syndrome, non-alcoholic steatohepatitis, and non-alcoholic fatty liver disease.
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Process for the preparation of indazolyl ureas that inhibit vanilloid subtype 1 (VR1) receptors (Fri, 30 Mar 2012)
Patent 571705 Disclosed is a process for preparing indazolyl ureas represented by general formula (I). The compound when produced by this process is also disclosed. The use of the compounds of formula (I) for treating a disorder by inhibiting vanilloid receptor subtype 1 is also disclosed. Such diseases or conditions include pain, inflammatory hyperalgesia, urinary incontinence and bladder over-reactivity.
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Preparation of modulators of 5-HT receptors (Wed, 25 Sep 2013)
The present application relates to processes for making aryl- and heteroaryl-fused decahydropyrroloazepine derivatives of formula (1-5), wherein the variables are as defined in the specification.
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Modulators of 5-HT receptors and methods of use thereof (Wed, 14 Nov 2012)
The present application relates to 1,2,3,4,4a,5,6,7-octahydropyrazino[1,2- a ][1,4]benzodiazepine, 1,2,3,4,4a,5,6,7-octahydropyrazino[1,2- a ][1,5]benzodiazepine, 2,3,4,4a,5,6,7,11b-octahydro-1 H- pyrido[3,4- d ][2]benzazepine, 1,2,3,4,4a,5,6,7-octahydropyrazino[1,2- a ][1]benzazepine, 1,2,3,4,4a,5-hexahydro-7 H- pyrazino[1,2- a ][4,1]henzoxazepine, and 2,3,4,4a,5,6-hexahydro-1 H- pyrazino[2,1- d ][1,5]benzoxazepine, and 5,6,7,7a,8,9,10,11-octahydropyrazino[1,2- d ]pyrido[3,2-b][1,4]diazepine derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X 1 , X 2 , X 3 X 4 , Y 1 , Y 2 , and Y 3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating disease conditions using such compounds and compositions, and methods for identifying such compounds.
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SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS (Thu, 26 Nov 2015)
The present invention relates spiro-cyclic amine derivatives of the formula (I) wherein R1 is selected from (2-4C)alkenyl, (2-4C)alkynyl, (1-4C)alkyl each optionally substituted with CN or one or more fluoro atoms, (3-6C)cycloalkyl, (4-6C)cycloalkenyl or a (8-10C)bicycic group, each optionally substituted with halogen or (1-4C)alkyl, phenyl, biphenyl, naphthyl, each optionally substituted with one or more substituents independently selected from halogen, cyano, (1-6C)alkyl optionally substituted with one or more fluoro atoms, (1-6C)alkoxy optionally substituted with one or more fluoro atoms, amino, di(1-4C)alkylamino and (3-6C)cycloalkyl optionally substituted with phenyl which may be substituted with (1-4C)alkyl or halogen, phenyl substituted with phenoxy, benzyl, benzyloxy, phenylethyl or monocycic heterocycle, each optionally substituted with (1-4C)alkyl optionally substituted with one or more fluoro atoms, monocyclic heterocycle optionally independently substituted with halogen, (1-6C)alkyl optionally substituted with one or more fluoro atoms, (3-6C)cycloalkyl, or phenyl optionally substituted with (1-4C)alkyl or halogen, and bicyclic heterocycle optionally substituted with halogen or (1-4C)alkyl optionally substituted with one or more fluoro atoms; -Y-(C 10-alkylene)-X- is a linking group wherein Y is attached to R1 and selected from a bond, -0-, -CO-, -S-, -SO-, -SO 2 -NH-, -CH=CH-, -C(CF3)=CH-, -C-C-, -CH2-0-, -O-CO-, -CO-0 -CO-NH-, -NH-CO-, and trans-cyclopropylene; n is an integer from 0 to 10; and X is attached to the phenylene/pyridyl moiety and selected from a bond, -O-, -S-, -SO-, -SO 2-, -NH-, -CO-, -CH=CH-, and trans-cyclopropylene; R2 is H or independently selected from one or more substituents selected from halogen, (1-4C)alkoxy and (1-4C)alkyl optionally substituted with one or more fluor atoms; and R3 is (1-4C)alkylene-R4 wherein the alkylene group may be substituted with one or more halogen atoms or with (CH 2)2 to form a cyclopropyl moiety, or R3 is (3-6C)cycloalkylene-R4, -CH2-(3-6C)cycloalkylene-R4, (3-6C)cycloalkylene-CH2-R4 or -CO-CH 2-R4, wherein R4 is -OH, PO 3H2 , -OPO3H2 , -COOH, -COO(1-4C)alkyl or tetrazol-5-yl; -W-T- is selected from -CH=CH-, -CH 2-CH 2-, -CH 2-0-, -O-CH 2-, -O-CH 2 CH 2-, and -CO-O-; R5 is H or independently selected from one or more halogens; Z is CH, CR2 or N; and A represents a morpholine ring structure or a 5-, 6- or 7-membered cyclic amine; or a pharmaceutically acceptable salt, a solvate or hydrate thereof or one or more N-oxides thereof. The compounds of the invention have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of diseases and conditions in which (a) SiP receptor(s) is (are) involved.
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SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS (Thu, 12 Jan 2012)
The present invention relates spiro- cyclic amine derivatives of the formula (I) wherein R1; R2; R3; Q; -W-T-; R5; Z; and A have the definitions provided in the claims; or a pharmaceutically acceptable salt, a solvate or hydrate thereof or one or more N-oxides thereof. The compounds of the invention have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of diseases and conditions in which (a) S1P receptor (s) is (are) involved.
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SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS (Thu, 18 Jul 2019)
The present invention relates spiro-cyclic amine derivatives of the formula (1) wherein R1; R2; R3; Q; —W-T-; R5; Z; and A have the definitions provided in the claims; or a pharmaceutically acceptable salt, a solvate or hydrate thereof or one or more N-oxides thereof. The compounds of the invention have affinity to S1P receptors and may be used in the treatment, alleviation or prevention of diseases and conditions in which (a) S1P receptor (s) is (are) involved. embedded image
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MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF (Wed, 29 Feb 2012)
The present application relates to 1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1,4]benzodiazepine, 1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1,5]benzodiazepine, 2,3,4,4a,5,6,7,11b-octahydro-1H-pyrido[3,4-d][2]benzazepine, 1,2,3,4,4a,5,6,7-octahydropyrazino[1,2-a][1]benzazepine, 1,2,3,4,4a,5-hexahydro-7H-pyrazino[1,2-a][4,1]benzoxazepine, and 2,3,4,4a,5,6-hexahydro-1H-pyrazino[2,1-d][1,5]benzoxazepine, and 5,6,7,7a,8,9,10,11-octahydropyrazino[1,2-d]pyrido[3,2-b][1,4]diazepine derivatives of formula (I) wherein R1, R2, R3, R4, R5, R6, X1, X2, X3, X4, Y1, Y2, and Y3 are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating disease conditions using such compounds and compositions, and methods for identifying such compounds.
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TRPV1 antagonists (Thu, 20 Jun 2013)
Disclosed herein are compounds of formula (I): embedded image or pharmaceutically acceptable salts thereof, wherein X1, L, Rx, Ry, Rz, A, m, n, p, q, s, and positions a and b are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also disclosed.
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N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR (Wed, 28 Mar 2012)
The present invention relates to N-phenyl-(piperazinyl or homopiperazinyl)- benzenesulfonamide or benzenesulfonyl-phenyl-(piperazine or homopiperazine) compounds,pharmaceutical compositions containing them, and their use in therapy. The compounds possess valuable therapeutic properties and are particularly suitable for treating diseases that respond to modulation of the serotonin 5-HT6 receptor. wherein X is a bond or a group N-R4; R1 is hydrogen or methyl; R2 is hydrogen or methyl; R3 is hydrogen, C1-C3 alkyl, fluorine, C1-C2 alkoxy or fluorinated C1-C2 alkoxy; R4 is hydrogen, C1-C4 alkyl, C3-C4 cycloalkyl, or C3-C4 cycloalkyl-CH2-; R5 is hydrogen, fluorine, chlorine, C1-C2 alkyl, fluorinated C1-C2 alkyl, C1-C2 alkoxy or fluorinated C1-C2 alkoxy; R6 is hydrogen, fluorine or chlorine; and n is 1 or 2.
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