Compile Data Set for Download or QSAR

Found 2900 hits with Last Name = 'shirude' and Initial = 'ps'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50425950 (CHEMBL2311561 | Isoniazid-NAD) Show SMILES NC(=O)C1=CN(C=C[C@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of wild type Mycobacterium tuberculosis inhA				J Med Chem 56: 8533-42 (2013) Article DOI: 10.1021/jm4012033 BindingDB Entry DOI: 10.7270/Q2SB4769
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464305 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)O)N(Cc2cc(F)cc(OC)c2)C1=O Show InChI InChI=1S/C29H35FN6O4/c1-5-24-23(20-15-31-32-16-20)6-7-25(33-24)35-18-29(8-10-34(11-9-29)26(37)28(2,3)39)36(27(35)38)17-19-12-21(30)14-22(13-19)40-4/h6-7,12-16,39H,5,8-11,17-18H2,1-4H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464306 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)O)N(Cc2cc(F)cc(OC)c2)C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464308 (3-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- fluoro-5- met...) Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C28H32FN5O4/c1-27(2,37)25(35)32-10-8-28(9-11-32)18-33(23-6-4-20(5-7-23)21-15-30-31-16-21)26(36)34(28)17-19-12-22(29)14-24(13-19)38-3/h4-7,12-16,37H,8-11,17-18H2,1-3H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464309 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2- hydroxypropan...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)O)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464310 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2- hydroxy-2- me...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C28H33N5O4/c1-27(2,36)25(34)31-13-11-28(12-14-31)19-32(23-9-7-21(8-10-23)22-16-29-30-17-22)26(35)33(28)18-20-5-4-6-24(15-20)37-3/h4-10,15-17,36H,11-14,18-19H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464311 (33-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- fluoro-5- me...) Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2(C)COC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C29H32FN5O4/c1-28(18-39-19-28)26(36)33-9-7-29(8-10-33)17-34(24-5-3-21(4-6-24)22-14-31-32-15-22)27(37)35(29)16-20-11-23(30)13-25(12-20)38-2/h3-6,11-15H,7-10,16-19H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464318 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CC(C)C)N(Cc2cccc(OC)c2)C1=O Show InChI InChI=1S/C30H38N6O3/c1-5-26-25(23-17-31-32-18-23)9-10-27(33-26)35-20-30(11-13-34(14-12-30)28(37)15-21(2)3)36(29(35)38)19-22-7-6-8-24(16-22)39-4/h6-10,16-18,21H,5,11-15,19-20H2,1-4H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464319 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-is...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)C)N(Cc2cccc(OC)c2)C1=O Show InChI InChI=1S/C29H36N6O3/c1-5-25-24(22-16-30-31-17-22)9-10-26(32-25)34-19-29(11-13-33(14-12-29)27(36)20(2)3)35(28(34)37)18-21-7-6-8-23(15-21)38-4/h6-10,15-17,20H,5,11-14,18-19H2,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464320 (8-(3,3- difluorocyclobutane- carbonyl)-3-(6-ethyl-...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CC(F)(F)C2)N(Cc2cccc(OC)c2)C1=O Show InChI InChI=1S/C30H34F2N6O3/c1-3-25-24(22-16-33-34-17-22)7-8-26(35-25)37-19-29(38(28(37)40)18-20-5-4-6-23(13-20)41-2)9-11-36(12-10-29)27(39)21-14-30(31,32)15-21/h4-8,13,16-17,21H,3,9-12,14-15,18-19H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464321 (8-(2- (dimethylamino) acetyl)-3-(6-ethyl-5-(1H- py...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CN(C)C)N(Cc2cccc(OC)c2)C1=O Show InChI InChI=1S/C29H37N7O3/c1-5-25-24(22-16-30-31-17-22)9-10-26(32-25)35-20-29(11-13-34(14-12-29)27(37)19-33(2)3)36(28(35)38)18-21-7-6-8-23(15-21)39-4/h6-10,15-17H,5,11-14,18-20H2,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464322 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-(3...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)CO)N(Cc2cccc(OC)c2)C1=O Show InChI InChI=1S/C30H38N6O4/c1-5-25-24(22-16-31-32-17-22)9-10-26(33-25)35-19-30(11-13-34(14-12-30)27(38)29(2,3)20-37)36(28(35)39)18-21-7-6-8-23(15-21)40-4/h6-10,15-17,37H,5,11-14,18-20H2,1-4H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464324 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-(2...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)COC)N(Cc2cccc(OC)c2)C1=O Show InChI InChI=1S/C28H34N6O4/c1-4-24-23(21-15-29-30-16-21)8-9-25(31-24)33-19-28(10-12-32(13-11-28)26(35)18-37-2)34(27(33)36)17-20-6-5-7-22(14-20)38-3/h5-9,14-16H,4,10-13,17-19H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464325 (3-(6-ethyl-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-(3...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CCCO2)N(Cc2cccc(OC)c2)C1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464328 (8-(2- (dimethylamino) acetyl)-3-(4-methoxy-5- (1H-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CN(C)C)c2ncc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C27H34N8O4/c1-32(2)17-23(36)33-10-8-27(9-11-33)18-34(26(37)35(27)16-19-6-5-7-21(12-19)38-3)25-28-15-22(24(31-25)39-4)20-13-29-30-14-20/h5-7,12-15H,8-11,16-18H2,1-4H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464335 ((R)-8-(2,2- difluorocyclopropane- carbonyl)-3-(6-e...) Show SMILES CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)[C@H]2CC2(F)F)N(Cc2cccc(OC)c2)C1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464336 (8-(2- (dimethylamino) acetyl)-3-(6-methoxy-5- (1H-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CN(C)C)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C28H35N7O4/c1-32(2)18-25(36)33-12-10-28(11-13-33)19-34(27(37)35(28)17-20-6-5-7-22(14-20)38-3)24-9-8-23(26(31-24)39-4)21-15-29-30-16-21/h5-9,14-16H,10-13,17-19H2,1-4H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464337 (3-(6-methoxy-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-8-...) Show SMILES COCC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1 Show InChI InChI=1S/C27H32N6O5/c1-36-17-24(34)31-11-9-27(10-12-31)18-32(26(35)33(27)16-19-5-4-6-21(13-19)37-2)23-8-7-22(25(30-23)38-3)20-14-28-29-15-20/h4-8,13-15H,9-12,16-18H2,1-3H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464338 (8-(2-hydroxyacetyl)- 3-(6-methoxy-5-(1H- pyrazol-4...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CO)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C26H30N6O5/c1-36-20-5-3-4-18(12-20)15-32-25(35)31(17-26(32)8-10-30(11-9-26)23(34)16-33)22-7-6-21(24(29-22)37-2)19-13-27-28-14-19/h3-7,12-14,33H,8-11,15-17H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464339 (8-(2- hydroxypropanoyl)-3- (6-methoxy-5-(1H- pyraz...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464340 (8-(2-hydroxy-2- methylpropanoyl)-3- (6-methoxy-5-(...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C28H34N6O5/c1-27(2,37)25(35)32-12-10-28(11-13-32)18-33(26(36)34(28)17-19-6-5-7-21(14-19)38-3)23-9-8-22(24(31-23)39-4)20-15-29-30-16-20/h5-9,14-16,37H,10-13,17-18H2,1-4H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464341 (3-(6-methoxy-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2COC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C28H32N6O5/c1-37-22-5-3-4-19(12-22)15-34-27(36)33(24-7-6-23(25(31-24)38-2)20-13-29-30-14-20)18-28(34)8-10-32(11-9-28)26(35)21-16-39-17-21/h3-7,12-14,21H,8-11,15-18H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464343 (8-(2- (dimethylamino) acetyl)-1-(3-fluoro-2- methy...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CN(C)C)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C28H34FN7O3/c1-19-20(6-5-7-23(19)29)16-36-27(38)35(18-28(36)10-12-34(13-11-28)25(37)17-33(2)3)24-9-8-22(26(32-24)39-4)21-14-30-31-15-21/h5-9,14-15H,10-13,16-18H2,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464344 (1-(3-fluoro-2- methylbenzyl)-3-(6- methoxy-5-(1H- ...) Show SMILES COCC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1 Show InChI InChI=1S/C27H31FN6O4/c1-18-19(5-4-6-22(18)28)15-34-26(36)33(17-27(34)9-11-32(12-10-27)24(35)16-37-2)23-8-7-21(25(31-23)38-3)20-13-29-30-14-20/h4-8,13-14H,9-12,15-17H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464345 (1-(3-fluoro-2- methylbenzyl)-3-(6- methoxy-5-(1H- ...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CCN2CCCC2=O)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C31H36FN7O4/c1-21-22(5-3-6-25(21)32)19-39-30(42)38(26-9-8-24(29(35-26)43-2)23-17-33-34-18-23)20-31(39)11-15-37(16-12-31)28(41)10-14-36-13-4-7-27(36)40/h3,5-6,8-9,17-18H,4,7,10-16,19-20H2,1-2H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464346 (1-(3-fluoro-2- methylbenzyl)-8-(3- hydroxy-2,2- di...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)CO)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C29H35FN6O4/c1-19-20(6-5-7-23(19)30)16-36-27(39)35(24-9-8-22(25(33-24)40-4)21-14-31-32-15-21)17-29(36)10-12-34(13-11-29)26(38)28(2,3)18-37/h5-9,14-15,37H,10-13,16-18H2,1-4H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464347 (1-(3-fluoro-2- methylbenzyl)-8-(2- hydroxyacetyl)-...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CO)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C26H29FN6O4/c1-17-18(4-3-5-21(17)27)14-33-25(36)32(16-26(33)8-10-31(11-9-26)23(35)15-34)22-7-6-20(24(30-22)37-2)19-12-28-29-13-19/h3-7,12-13,34H,8-11,14-16H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464348 (1-(3-fluoro-2- methylbenzyl)-8-(2- hydroxy-2- meth...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)O)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C28H33FN6O4/c1-18-19(6-5-7-22(18)29)16-35-26(37)34(17-28(35)10-12-33(13-11-28)25(36)27(2,3)38)23-9-8-21(24(32-23)39-4)20-14-30-31-15-20/h5-9,14-15,38H,10-13,16-17H2,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464349 (Preparation of 3-(4-(1H-pyrazol-4-yl)phenyl)-8-((4...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC3CCC(F)(F)CC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C31H37F2N5O2/c1-40-28-4-2-3-24(17-28)21-38-29(39)37(27-7-5-25(6-8-27)26-18-34-35-19-26)22-30(38)13-15-36(16-14-30)20-23-9-11-31(32,33)12-10-23/h2-8,17-19,23H,9-16,20-22H2,1H3,(H,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464350 (3-(4-(1H- pyrazol-4- yl)phenyl)-8- (cyclobutyl- me...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC3CCC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C29H35N5O2/c1-36-27-7-3-6-23(16-27)20-34-28(35)33(26-10-8-24(9-11-26)25-17-30-31-18-25)21-29(34)12-14-32(15-13-29)19-22-4-2-5-22/h3,6-11,16-18,22H,2,4-5,12-15,19-21H2,1H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464351 (3-(4-(1H- pyrazol-4- yl)phenyl)-1-(3- methoxy- ben...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC3CCOCC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C30H37N5O3/c1-37-28-4-2-3-24(17-28)21-35-29(36)34(27-7-5-25(6-8-27)26-18-31-32-19-26)22-30(35)11-13-33(14-12-30)20-23-9-15-38-16-10-23/h2-8,17-19,23H,9-16,20-22H2,1H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464352 (3-(4-(1H-pyrazol-4-yl)phenyl)-1-(3-methoxybenzyl)-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)S(C)(=O)=O)c2ccc(Br)cc2)c1 Show InChI InChI=1S/C22H26BrN3O4S/c1-30-20-5-3-4-17(14-20)15-26-21(27)25(19-8-6-18(23)7-9-19)16-22(26)10-12-24(13-11-22)31(2,28)29/h3-9,14H,10-13,15-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464353 (Preparation of 3-(4-(1H-pyrazol-4-yl)phenyl)-1-(3-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H31N5O3/c1-34-25-4-2-3-20(13-25)16-32-26(33)31(23-7-5-21(6-8-23)22-14-28-29-15-22)19-27(32)9-11-30(12-10-27)24-17-35-18-24/h2-8,13-15,24H,9-12,16-19H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464354 (3-(4-(1H- pyrazol-4- yl)phenyl)- 1-(3- fluoro-5- m...) Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C27H30FN5O3/c1-35-25-11-19(10-22(28)12-25)15-33-26(34)32(23-4-2-20(3-5-23)21-13-29-30-14-21)18-27(33)6-8-31(9-7-27)24-16-36-17-24/h2-5,10-14,24H,6-9,15-18H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464355 (3-(5-(1H- pyrazol-4- yl)pyridin- 2-yl)-1-(3- metho...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cn2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H30N6O3/c1-34-23-4-2-3-19(11-23)15-32-25(33)31(24-6-5-20(12-27-24)21-13-28-29-14-21)18-26(32)7-9-30(10-8-26)22-16-35-17-22/h2-6,11-14,22H,7-10,15-18H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464356 (3-(6-methoxy- 5-(1H- pyrazol-4- yl)pyridin- 2-yl)-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C27H32N6O4/c1-35-22-5-3-4-19(12-22)15-33-26(34)32(18-27(33)8-10-31(11-9-27)21-16-37-17-21)24-7-6-23(25(30-24)36-2)20-13-28-29-14-20/h3-7,12-14,21H,8-11,15-18H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464357 (1-(3-fluoro-2- methyl- benzyl)-3-(6- methoxy-5- (1...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C2COC2)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C27H31FN6O3/c1-18-19(4-3-5-23(18)28)14-34-26(35)33(17-27(34)8-10-32(11-9-27)21-15-37-16-21)24-7-6-22(25(31-24)36-2)20-12-29-30-13-20/h3-7,12-13,21H,8-11,14-17H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464241 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-ethyl-1- (3-metho...) Show SMILES CCN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C26H31N5O2/c1-3-29-13-11-26(12-14-29)19-30(23-9-7-21(8-10-23)22-16-27-28-17-22)25(32)31(26)18-20-5-4-6-24(15-20)33-2/h4-10,15-17H,3,11-14,18-19H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464242 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2- ethylbutyl)-1...) Show SMILES CCC(CC)CN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1 Show InChI InChI=1S/C30H39N5O2/c1-4-23(5-2)20-33-15-13-30(14-16-33)22-34(27-11-9-25(10-12-27)26-18-31-32-19-26)29(36)35(30)21-24-7-6-8-28(17-24)37-3/h6-12,17-19,23H,4-5,13-16,20-22H2,1-3H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464243 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-isobutyl- 1-(3-me...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC(C)C)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C28H35N5O2/c1-21(2)18-31-13-11-28(12-14-31)20-32(25-9-7-23(8-10-25)24-16-29-30-17-24)27(34)33(28)19-22-5-4-6-26(15-22)35-3/h4-10,15-17,21H,11-14,18-20H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464250 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2,2- difluoroeth...) Show SMILES Cc1c(F)cccc1CN1C(=O)N(CC11CCN(CC(F)F)CC1)c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C26H28F3N5O/c1-18-20(3-2-4-23(18)27)15-34-25(35)33(17-26(34)9-11-32(12-10-26)16-24(28)29)22-7-5-19(6-8-22)21-13-30-31-14-21/h2-8,13-14,24H,9-12,15-17H2,1H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464251 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2,2- difluoroeth...) Show SMILES COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC(F)F)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H28F3N5O2/c1-36-23-11-18(10-21(27)12-23)15-34-25(35)33(17-26(34)6-8-32(9-7-26)16-24(28)29)22-4-2-19(3-5-22)20-13-30-31-14-20/h2-5,10-14,24H,6-9,15-17H2,1H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464254 (8-(2,2-difluoroethyl)- 3-(6-methoxy-5-(1H- pyrazol...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC(F)F)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C26H30F2N6O3/c1-36-20-5-3-4-18(12-20)15-34-25(35)33(17-26(34)8-10-32(11-9-26)16-22(27)28)23-7-6-21(24(31-23)37-2)19-13-29-30-14-19/h3-7,12-14,22H,8-11,15-17H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464255 (3-(6-methoxy-5-(1H- pyrazol-4-yl)pyridin- 2-yl)-1-...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1 Show InChI InChI=1S/C27H31F3N6O3/c1-38-21-5-3-4-19(14-21)17-36-25(37)35(18-26(36)8-11-34(12-9-26)13-10-27(28,29)30)23-7-6-22(24(33-23)39-2)20-15-31-32-16-20/h3-7,14-16H,8-13,17-18H2,1-2H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464256 (8-(2,2-difluoroethyl)- 1-(3-fluoro-2- methylbenzyl...) Show SMILES COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(F)F)CC2)N(Cc2cccc(F)c2C)C1=O Show InChI InChI=1S/C26H29F3N6O2/c1-17-18(4-3-5-21(17)27)14-35-25(36)34(16-26(35)8-10-33(11-9-26)15-22(28)29)23-7-6-20(24(32-23)37-2)19-12-30-31-13-19/h3-7,12-13,22H,8-11,14-16H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464257 (3-(4-(1H-pyrazol-4-yl)phenyl)-8-(2-hydroxy-2-methy...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ccc(Br)cc2)c1 Show InChI InChI=1S/C25H32BrN3O3/c1-24(2,31)17-27-13-11-25(12-14-27)18-28(21-9-7-20(26)8-10-21)23(30)29(25)16-19-5-4-6-22(15-19)32-3/h4-10,15,31H,11-14,16-18H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464258 (Example 140 | US10787450, Example 139) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(C[C@@H](C)O)CC2)c2ccc(Br)cc2)c1 |r| Show InChI InChI=1S/C24H30BrN3O3/c1-18(29)15-26-12-10-24(11-13-26)17-27(21-8-6-20(25)7-9-21)23(30)28(24)16-19-4-3-5-22(14-19)31-2/h3-9,14,18,29H,10-13,15-17H2,1-2H3/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464259 (US10787450, Example 140) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(C[C@H](C)O)CC2)c2ccc(Br)cc2)c1 |r| Show InChI InChI=1S/C24H30BrN3O3/c1-18(29)15-26-12-10-24(11-13-26)17-27(21-8-6-20(25)7-9-21)23(30)28(24)16-19-4-3-5-22(14-19)31-2/h3-9,14,18,29H,10-13,15-17H2,1-2H3/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464260 (3-(4-(1H-pyrazol-4- yl)phenyl)-8-(2- hydroxyethyl)...) Show SMILES COc1cccc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C26H31N5O3/c1-34-24-4-2-3-20(15-24)18-31-25(33)30(19-26(31)9-11-29(12-10-26)13-14-32)23-7-5-21(6-8-23)22-16-27-28-17-22/h2-8,15-17,32H,9-14,18-19H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM464262 (3-(4-(1H-pyrazol-4- yl)phenyl)-1-(3- fluoro-2- met...) Show SMILES Cc1c(F)cccc1CN1C(=O)N(CC11CCN(CCO)CC1)c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C26H30FN5O2/c1-19-21(3-2-4-24(19)27)17-32-25(34)31(18-26(32)9-11-30(12-10-26)13-14-33)23-7-5-20(6-8-23)22-15-28-29-16-22/h2-8,15-16,33H,9-14,17-18H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The effectiveness of compounds of the present invention as ROCK inhibitors can be determined in a 30 μL assay containing 20 mM HEPES, pH 7.5, 20...				US Patent US10787450 (2020) BindingDB Entry DOI: 10.7270/Q2R214F0
					More data for this Ligand-Target Pair

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