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Compile Data Set for Download or QSAR

Found 2239 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319035
PNG
((+/-)-4-(5-(1-aminobutyl)-3-methylbenzo[b]thiophen...)
Show SMILES CCCC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C17H20N4S/c1-3-4-13(18)11-5-6-15-12(9-11)10(2)16(22-15)14-7-8-20-17(19)21-14/h5-9,13H,3-4,18H2,1-2H3,(H2,19,20,21)
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n/an/an/an/a 600n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12
Show InChI InChI=1/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/s2
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n/an/an/an/a 790n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319027
PNG
((+/-)-3-(amino(2-(2-aminopyrimidin-4-yl)-3-methylb...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(O)c1)-c1ccnc(N)n1
Show InChI InChI=1/C20H18N4OS/c1-11-15-10-13(18(21)12-3-2-4-14(25)9-12)5-6-17(15)26-19(11)16-7-8-23-20(22)24-16/h2-10,18,25H,21H2,1H3,(H2,22,23,24)
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n/an/an/an/a 900n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319025
PNG
(3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...)
Show SMILES Cc1c(sc2ccc(Nc3cccc(O)c3)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C19H16N4OS/c1-11-15-10-13(22-12-3-2-4-14(24)9-12)5-6-17(15)25-18(11)16-7-8-21-19(20)23-16/h2-10,22,24H,1H3,(H2,20,21,23)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319037
PNG
((+/-)-4-(5-(1-amino-3-methylbutyl)-3-methylbenzo[b...)
Show SMILES CC(C)CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C18H22N4S/c1-10(2)8-14(19)12-4-5-16-13(9-12)11(3)17(23-16)15-6-7-21-18(20)22-15/h4-7,9-10,14H,8,19H2,1-3H3,(H2,20,21,22)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319031
PNG
((+/-)-4-(5-(amino(phenyl)methyl)-3-methylbenzo[b]t...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1/C20H18N4S/c1-12-15-11-14(18(21)13-5-3-2-4-6-13)7-8-17(15)25-19(12)16-9-10-23-20(22)24-16/h2-11,18H,21H2,1H3,(H2,22,23,24)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319034
PNG
((+/-)-4-(5-(1-aminopropyl)-3-methylbenzo[b]thiophe...)
Show SMILES CCC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C16H18N4S/c1-3-12(17)10-4-5-14-11(8-10)9(2)15(21-14)13-6-7-19-16(18)20-13/h4-8,12H,3,17H2,1-2H3,(H2,18,19,20)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319030
PNG
((+/-)--4-(5-(amino(m-tolyl)methyl)-3-methylbenzo[b...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(C)c1)-c1ccnc(N)n1
Show InChI InChI=1/C21H20N4S/c1-12-4-3-5-14(10-12)19(22)15-6-7-18-16(11-15)13(2)20(26-18)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319036
PNG
((+/-)-4-(5-(1-amino-2-methylpropyl)-3-methylbenzo[...)
Show SMILES CC(C)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C17H20N4S/c1-9(2)15(18)11-4-5-14-12(8-11)10(3)16(22-14)13-6-7-20-17(19)21-13/h4-9,15H,18H2,1-3H3,(H2,19,20,21)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319028
PNG
((+/-)--4-(5-(amino(4-methoxyphenyl)methyl)-3-methy...)
Show SMILES COc1ccc(cc1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C21H20N4OS/c1-12-16-11-14(19(22)13-3-6-15(26-2)7-4-13)5-8-18(16)27-20(12)17-9-10-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319029
PNG
((+/-)--4-(5-(amino(3-chlorophenyl)methyl)-3-methyl...)
Show SMILES Cc1c(sc2ccc(cc12)C(N)c1cccc(Cl)c1)-c1ccnc(N)n1
Show InChI InChI=1/C20H17ClN4S/c1-11-15-10-13(18(22)12-3-2-4-14(21)9-12)5-6-17(15)26-19(11)16-7-8-24-20(23)25-16/h2-10,18H,22H2,1H3,(H2,23,24,25)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319021
PNG
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)
Show SMILES Cc1c(sc2ccc(Cc3cccc(O)c3)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C20H17N3OS/c1-12-16-11-14(9-13-3-2-4-15(24)10-13)5-6-18(16)25-19(12)17-7-8-22-20(21)23-17/h2-8,10-11,24H,9H2,1H3,(H2,21,22,23)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319026
PNG
((+/-)-4-(5-(amino(3-methoxyphenyl)methyl)-3-methyl...)
Show SMILES COc1cccc(c1)C(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C21H20N4OS/c1-12-16-11-14(19(22)13-4-3-5-15(10-13)26-2)6-7-18(16)27-20(12)17-8-9-24-21(23)25-17/h3-11,19H,22H2,1-2H3,(H2,23,24,25)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319033
PNG
((+/-)-4-(5-(1-aminoethyl)-3-methylbenzo[b]thiophen...)
Show SMILES CC(N)c1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1/C15H16N4S/c1-8-11-7-10(9(2)16)3-4-13(11)20-14(8)12-5-6-18-15(17)19-12/h3-7,9H,16H2,1-2H3,(H2,17,18,19)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319017
PNG
(4-(5-(2-methoxybenzyl)-3-methylbenzo[b]thiophen-2-...)
Show SMILES COc1ccccc1Cc1ccc2sc(c(C)c2c1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H19N3OS/c1-13-16-12-14(11-15-5-3-4-6-18(15)25-2)7-8-19(16)26-20(13)17-9-10-23-21(22)24-17/h3-10,12H,11H2,1-2H3,(H2,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319032
PNG
(4-(5-(aminomethyl)-3-methylbenzo[b]thiophen-2-yl)p...)
Show SMILES Cc1c(sc2ccc(CN)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C14H14N4S/c1-8-10-6-9(7-15)2-3-12(10)19-13(8)11-4-5-17-14(16)18-11/h2-6H,7,15H2,1H3,(H2,16,17,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319016
PNG
(4-(5-benzyl-3-methylbenzo[b]thiophen-2-yl)pyrimidi...)
Show SMILES Cc1c(sc2ccc(Cc3ccccc3)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C20H17N3S/c1-13-16-12-15(11-14-5-3-2-4-6-14)7-8-18(16)24-19(13)17-9-10-22-20(21)23-17/h2-10,12H,11H2,1H3,(H2,21,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319015
PNG
(4-(3-methyl-5-phenylbenzo[b]thiophen-2-yl)pyrimidi...)
Show SMILES Cc1c(sc2ccc(cc12)-c1ccccc1)-c1ccnc(N)n1
Show InChI InChI=1S/C19H15N3S/c1-12-15-11-14(13-5-3-2-4-6-13)7-8-17(15)23-18(12)16-9-10-21-19(20)22-16/h2-11H,1H3,(H2,20,21,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319014
PNG
(4-(3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine...)
Show SMILES Cc1c(sc2ccccc12)-c1ccnc(N)n1
Show InChI InChI=1S/C13H11N3S/c1-8-9-4-2-3-5-11(9)17-12(8)10-6-7-15-13(14)16-10/h2-7H,1H3,(H2,14,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319018
PNG
(4-(5-(3-methoxybenzyl)-3-methylbenzo[b]thiophen-2-...)
Show SMILES COc1cccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)c1
Show InChI InChI=1S/C21H19N3OS/c1-13-17-12-15(10-14-4-3-5-16(11-14)25-2)6-7-19(17)26-20(13)18-8-9-23-21(22)24-18/h3-9,11-12H,10H2,1-2H3,(H2,22,23,24)
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Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319019
PNG
(4-(5-(4-methoxybenzyl)-3-methylbenzo[b]thiophen-2-...)
Show SMILES COc1ccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)cc1
Show InChI InChI=1S/C21H19N3OS/c1-13-17-12-15(11-14-3-6-16(25-2)7-4-14)5-8-19(17)26-20(13)18-9-10-23-21(22)24-18/h3-10,12H,11H2,1-2H3,(H2,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319020
PNG
(4-(3-methyl-5-(3-(trifluoromethyl)benzyl)benzo[b]t...)
Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(F)(F)F)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C21H16F3N3S/c1-12-16-11-14(9-13-3-2-4-15(10-13)21(22,23)24)5-6-18(16)28-19(12)17-7-8-26-20(25)27-17/h2-8,10-11H,9H2,1H3,(H2,25,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319024
PNG
(3-(2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thiop...)
Show SMILES Cc1c(sc2ccc(Oc3cccc(O)c3)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C19H15N3O2S/c1-11-15-10-14(24-13-4-2-3-12(23)9-13)5-6-17(15)25-18(11)16-7-8-21-19(20)22-16/h2-10,23H,1H3,(H2,20,21,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319022
PNG
(3-((2-(2-aminopyrimidin-4-yl)-3-methylbenzo[b]thio...)
Show SMILES Cc1c(sc2ccc(Cc3cccc(c3)C(O)=O)cc12)-c1ccnc(N)n1
Show InChI InChI=1S/C21H17N3O2S/c1-12-16-11-14(9-13-3-2-4-15(10-13)20(25)26)5-6-18(16)27-19(12)17-7-8-23-21(22)24-17/h2-8,10-11H,9H2,1H3,(H,25,26)(H2,22,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319023
PNG
(CHEMBL1084792 | methyl 3-((2-(2-aminopyrimidin-4-y...)
Show SMILES COC(=O)c1cccc(Cc2ccc3sc(c(C)c3c2)-c2ccnc(N)n2)c1
Show InChI InChI=1S/C22H19N3O2S/c1-13-17-12-15(10-14-4-3-5-16(11-14)21(26)27-2)6-7-19(17)28-20(13)18-8-9-24-22(23)25-18/h3-9,11-12H,10H2,1-2H3,(H2,23,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kalypsys Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human GTM3 cells by impedance assay


Bioorg Med Chem Lett 20: 3361-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.020
BindingDB Entry DOI: 10.7270/Q289161H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463499
PNG
(CHEMBL4250547)
Show SMILES CCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C20H19N5O3S2/c1-2-30(27,28)25-14-6-3-5-13(9-14)10-18(26)24-20-23-17(12-29-20)16-11-22-19-15(16)7-4-8-21-19/h3-9,11-12,25H,2,10H2,1H3,(H,21,22)(H,23,24,26)
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<1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
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<1n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463500
PNG
(CHEMBL4243658)
Show SMILES CCCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C22H23N5O3S2/c1-2-3-10-32(29,30)27-16-7-4-6-15(11-16)12-20(28)26-22-25-19(14-31-22)18-13-24-21-17(18)8-5-9-23-21/h4-9,11,13-14,27H,2-3,10,12H2,1H3,(H,23,24)(H,25,26,28)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463498
PNG
(CHEMBL4241959)
Show SMILES COCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O4S2/c1-30-9-8-24-32(28,29)15-5-2-4-14(10-15)11-19(27)26-21-25-18(13-31-21)17-12-23-20-16(17)6-3-7-22-20/h2-7,10,12-13,24H,8-9,11H2,1H3,(H,22,23)(H,25,26,27)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463492
PNG
(CHEMBL4241305)
Show SMILES CCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-9-31(28,29)26-15-6-3-5-14(10-15)11-19(27)25-21-24-18(13-30-21)17-12-23-20-16(17)7-4-8-22-20/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,22,23)(H,24,25,27)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463481
PNG
(CHEMBL4244717)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-13(2)31(28,29)26-15-6-3-5-14(9-15)10-19(27)25-21-24-18(12-30-21)17-11-23-20-16(17)7-4-8-22-20/h3-9,11-13,26H,10H2,1-2H3,(H,22,23)(H,24,25,27)
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2n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12
Show InChI InChI=1/C14H16N2O2/c17-14-13-4-3-11(8-10(13)5-7-16-14)18-12-2-1-6-15-9-12/h3-5,7-8,12,15H,1-2,6,9H2,(H,16,17)/t12-/s2
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2.51n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Bioorg Med Chem Lett 21: 1084-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.104
BindingDB Entry DOI: 10.7270/Q2DN468G
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463491
PNG
(CHEMBL4245197)
Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-30-8-10-31(11-9-30)12-13-33-19-5-2-4-18(14-19)15-23(32)29-25-28-22(17-34-25)21-16-27-24-20(21)6-3-7-26-24/h2-7,14,16-17H,8-13,15H2,1H3,(H,26,27)(H,28,29,32)
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3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463489
PNG
(CHEMBL4245089)
Show SMILES Oc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C18H14N4O2S/c23-12-4-1-3-11(7-12)8-16(24)22-18-21-15(10-25-18)14-9-20-17-13(14)5-2-6-19-17/h1-7,9-10,23H,8H2,(H,19,20)(H,21,22,24)
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Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463490
PNG
(CHEMBL4240605)
Show SMILES CCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-8-24-31(28,29)15-6-3-5-14(10-15)11-19(27)26-21-25-18(13-30-21)17-12-23-20-16(17)7-4-9-22-20/h3-7,9-10,12-13,24H,2,8,11H2,1H3,(H,22,23)(H,25,26,27)
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3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463495
PNG
(CHEMBL4244623)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H16N4O2S/c1-25-13-5-2-4-12(8-13)9-17(24)23-19-22-16(11-26-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11H,9H2,1H3,(H,20,21)(H,22,23,24)
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3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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<5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463494
PNG
(CHEMBL4240883)
Show SMILES O=C(Cc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C18H14N4OS/c23-16(9-12-5-2-1-3-6-12)22-18-21-15(11-24-18)14-10-20-17-13(14)7-4-8-19-17/h1-8,10-11H,9H2,(H,19,20)(H,21,22,23)
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5n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463487
PNG
(CHEMBL4248883)
Show SMILES O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H14N4O3S/c24-17(7-11-3-4-15-16(6-11)26-10-25-15)23-19-22-14(9-27-19)13-8-21-18-12(13)2-1-5-20-18/h1-6,8-9H,7,10H2,(H,20,21)(H,22,23,24)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463497
PNG
(CHEMBL4249070)
Show SMILES CC(C)NS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C21H21N5O3S2/c1-13(2)26-31(28,29)15-6-3-5-14(9-15)10-19(27)25-21-24-18(12-30-21)17-11-23-20-16(17)7-4-8-22-20/h3-9,11-13,26H,10H2,1-2H3,(H,22,23)(H,24,25,27)
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6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/s2
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6 -47.7n/an/an/an/an/a7.630



Vertex Pharmaceuticals Inc



Assay Description
The enzyme activity was assayed by using an ATP regenerative NADH consuming system. The reaction was started with adding ATP to the mixture containin...


J Biol Chem 281: 260-8 (2006)


Article DOI: 10.1074/jbc.M508847200
BindingDB Entry DOI: 10.7270/Q2JQ0Z80
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12
Show InChI InChI=1/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/s2
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6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 by homogenous luciferase assay


J Med Chem 53: 759-77 (2010)


Article DOI: 10.1021/jm9014263
BindingDB Entry DOI: 10.7270/Q2V125RD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50097177
PNG
(CHEMBL3581126)
Show SMILES Clc1c2OCOc2ccc1CC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C17H12ClN3O3S/c18-15-11(1-2-13-16(15)24-9-23-13)7-14(22)21-17-20-12(8-25-17)10-3-5-19-6-4-10/h1-6,8H,7,9H2,(H,20,21,22)
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7n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463482
PNG
(CHEMBL4238696)
Show SMILES O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H26N6O2S/c31-22(14-17-3-1-4-18(13-17)32-12-11-30-9-7-25-8-10-30)29-24-28-21(16-33-24)20-15-27-23-19(20)5-2-6-26-23/h1-6,13,15-16,25H,7-12,14H2,(H,26,27)(H,28,29,31)
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8n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50463486
PNG
(CHEMBL4242191)
Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C25H28N6O2S/c32-23(30-25-29-22(17-34-25)21-16-28-24-20(21)6-2-7-27-24)15-18-4-1-5-19(14-18)33-13-3-10-31-11-8-26-9-12-31/h1-2,4-7,14,16-17,26H,3,8-13,15H2,(H,27,28)(H,29,30,32)
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10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate in presence of ATP by spectrophotomet...


Bioorg Med Chem Lett 28: 2622-2626 (2018)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
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10n/an/an/an/an/an/an/an/a



Kadmon Corporation LLC

US Patent


Assay Description
Kinase inhibition can be determined using an IMAP® assay (Molecular Devices). This assay method involves the use of a fluorescently-tagged peptide su...


US Patent US9815820 (2017)


Article DOI: 10.1016/j.bmc.2006.12.019
BindingDB Entry DOI: 10.7270/Q2KS6TP0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM322158
PNG
(2-(3-(4-((1H-indazol-5-yl)amino)-6-(4-methylpipera...)
Show SMILES CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N8O2/c1-18(2)29-26(36)17-37-22-6-4-5-19(14-22)27-31-24(15-25(32-27)35-11-9-34(3)10-12-35)30-21-7-8-23-20(13-21)16-28-33-23/h4-8,13-16,18H,9-12,17H2,1-3H3,(H,28,33)(H,29,36)(H,30,31,32)
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10n/an/an/an/an/an/an/an/a



Kadmon Corporation LLC

US Patent


Assay Description
Dose response curves for Rho-kinase inhibition were derived from a Millipore immuno-based 96 well plate assay (Millipore catalog number CSA001). Puri...


US Patent US10183931 (2019)


Article DOI: 10.1016/j.bmcl.2005.10.009
BindingDB Entry DOI: 10.7270/Q27M0B04
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50097155
PNG
(CHEMBL3581132)
Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C18H16N2O2S/c1-22-16-4-2-3-13(9-16)10-17(21)20-18-11-15(12-23-18)14-5-7-19-8-6-14/h2-9,11-12H,10H2,1H3,(H,20,21)
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10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50097166
PNG
(CHEMBL3580669)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
Show InChI InChI=1S/C18H16FN3O3S2/c1-27(24,25)22-15-4-2-3-12(7-15)8-17(23)21-18-10-14(11-26-18)13-5-6-20-16(19)9-13/h2-7,9-11,22H,8H2,1H3,(H,21,23)
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10n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...


J Med Chem 58: 5028-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00424
BindingDB Entry DOI: 10.7270/Q2930VXW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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