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Compile Data Set for Download or QSAR

Found 956 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase RIO1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(Homo sapiens (human))
BDBM50417843
PNG
(CHEMBL1667967)
Show SMILES O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12
Show InChI InChI=1S/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-/m0/s1
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2.51n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(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=1S/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-/m0/s1
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6 -47.7n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


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


(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=1S/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-/m0/s1
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6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 by homogenous luciferase assay


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


(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., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(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., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(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., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


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


(Homo sapiens (human))
BDBM50097174
PNG
(CHEMBL3581129)
Show SMILES COc1cccc(c1)C1CCCN(c2nc(cs2)-c2ccncc2)C1=O
Show InChI InChI=1/C20H19N3O2S/c1-25-16-5-2-4-15(12-16)17-6-3-11-23(19(17)24)20-22-18(13-26-20)14-7-9-21-10-8-14/h2,4-5,7-10,12-13,17H,3,6,11H2,1H3
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17n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097165
PNG
(CHEMBL3581146)
Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
Show InChI InChI=1S/C18H15FN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)
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18n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097152
PNG
(CHEMBL3581149)
Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1
Show InChI InChI=1S/C18H17N3O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H2,19,20)(H,21,22)
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22n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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25.1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK-1


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


(Homo sapiens (human))
BDBM50097175
PNG
(CHEMBL3581128)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C17H16N4O3S2/c1-26(23,24)21-14-4-2-3-12(9-14)10-16(22)20-17-19-15(11-25-17)13-5-7-18-8-6-13/h2-9,11,21H,10H2,1H3,(H,19,20,22)
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26n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097351
PNG
(CHEMBL3581123)
Show SMILES Oc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H13N3O2S/c20-13-3-1-2-11(8-13)9-15(21)19-16-18-14(10-22-16)12-4-6-17-7-5-12/h1-8,10,20H,9H2,(H,18,19,21)
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28n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097153
PNG
(CHEMBL3581150)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1
Show InChI InChI=1S/C18H18N4O3S2/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,(H2,19,20)(H,21,23)
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30n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM14031
PNG
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)
Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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31.6n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK-1


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50417844
PNG
(CHEMBL1667963)
Show SMILES Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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34.7n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50417668
PNG
(CHEMBL1643368)
Show SMILES Nc1nccc2cc(O[C@H]3CCCNC3)ccc12
Show InChI InChI=1S/C14H17N3O/c15-14-13-4-3-11(8-10(13)5-7-17-14)18-12-2-1-6-16-9-12/h3-5,7-8,12,16H,1-2,6,9H2,(H2,15,17)/t12-/m0/s1
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37.1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Binding affinity to ROCK1


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097167
PNG
(CHEMBL3581147)
Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1
Show InChI InChI=1S/C18H15ClN2O2S/c1-23-15-4-2-3-12(7-15)8-17(22)21-18-10-14(11-24-18)13-5-6-20-16(19)9-13/h2-7,9-11H,8H2,1H3,(H,21,22)
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44n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097151
PNG
(CHEMBL3581148)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1
Show InChI InChI=1S/C18H16ClN3O3S2/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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45n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097171
PNG
(CHEMBL3581133)
Show SMILES COc1cccc(CC(=O)Nc2csc(c2)-c2ccncc2)c1
Show InChI InChI=1S/C18H16N2O2S/c1-22-16-4-2-3-13(9-16)10-18(21)20-15-11-17(23-12-15)14-5-7-19-8-6-14/h2-9,11-12H,10H2,1H3,(H,20,21)
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61n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50417674
PNG
(CHEMBL1643361)
Show SMILES Nc1nccc2cc(CNCCc3ccccc3)ccc12
Show InChI InChI=1S/C18H19N3/c19-18-17-7-6-15(12-16(17)9-11-21-18)13-20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2,(H2,19,21)
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63.1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK-1


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097340
PNG
(CHEMBL3581124)
Show SMILES Oc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H13N3O2S/c20-13-3-1-11(2-4-13)9-15(21)19-16-18-14(10-22-16)12-5-7-17-8-6-12/h1-8,10,20H,9H2,(H,18,19,21)
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70n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097355
PNG
(CHEMBL3581119)
Show SMILES Fc1ccc(CC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H12FN3OS/c17-13-3-1-11(2-4-13)9-15(21)20-16-19-14(10-22-16)12-5-7-18-8-6-12/h1-8,10H,9H2,(H,19,20,21)
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81n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50310470
PNG
(4-(5-amino-1-cyclobutyl-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES Nc1nonc1-c1nc2cc(N)ccc2n1C1CCC1
Show InChI InChI=1S/C13H14N6O/c14-7-4-5-10-9(6-7)16-13(11-12(15)18-20-17-11)19(10)8-2-1-3-8/h4-6,8H,1-3,14H2,(H2,15,18)
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85n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097169
PNG
(CHEMBL3581135)
Show SMILES COc1cccc(CC(=O)Nc2nc(ns2)-c2ccncc2)c1
Show InChI InChI=1S/C16H14N4O2S/c1-22-13-4-2-3-11(9-13)10-14(21)18-16-19-15(20-23-16)12-5-7-17-8-6-12/h2-9H,10H2,1H3,(H,18,19,20,21)
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89n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097178
PNG
(CHEMBL3581125)
Show SMILES O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C17H13N3O3S/c21-16(8-11-1-2-14-15(7-11)23-10-22-14)20-17-19-13(9-24-17)12-3-5-18-6-4-12/h1-7,9H,8,10H2,(H,19,20,21)
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100n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097154
PNG
(CHEMBL3581121)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-23-17)13-5-7-18-8-6-13/h2-9,11H,10H2,1H3,(H,19,20,21)
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100n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


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


(Homo sapiens (human))
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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100n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of ROCK-1


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


(Homo sapiens (human))
BDBM50097163
PNG
(CHEMBL3581144)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(F)c2)c1
Show InChI InChI=1S/C17H14FN3O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
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110n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097157
PNG
(CHEMBL3581138)
Show SMILES COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncn2)c1
Show InChI InChI=1S/C17H15N3O2S/c1-22-14-4-2-3-12(7-14)8-16(21)20-17-9-13(10-23-17)15-5-6-18-11-19-15/h2-7,9-11H,8H2,1H3,(H,20,21)
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120n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097356
PNG
(CHEMBL3581118)
Show SMILES Fc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H12FN3OS/c17-13-3-1-2-11(8-13)9-15(21)20-16-19-14(10-22-16)12-4-6-18-7-5-12/h1-8,10H,9H2,(H,19,20,21)
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120n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097164
PNG
(CHEMBL3581145)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(Cl)c2)c1
Show InChI InChI=1S/C17H14ClN3O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H,20,21,22)
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120n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097357
PNG
(CHEMBL3581117)
Show SMILES Fc1ccccc1CC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H12FN3OS/c17-13-4-2-1-3-12(13)9-15(21)20-16-19-14(10-22-16)11-5-7-18-8-6-11/h1-8,10H,9H2,(H,19,20,21)
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130n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097170
PNG
(CHEMBL3581134)
Show SMILES COc1cccc(CC(=O)Nc2ccc(s2)-c2ccncc2)c1
Show InChI InChI=1S/C18H16N2O2S/c1-22-15-4-2-3-13(11-15)12-17(21)20-18-6-5-16(23-18)14-7-9-19-10-8-14/h2-11H,12H2,1H3,(H,20,21)
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140n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50319631
PNG
(CHEMBL1083134 | trans-4-[(1R)-1-Aminoethyl]-N-4-py...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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140n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of p160ROCK


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50027431
PNG
(HYDROXYFASUDIL | Hydroxy-Fasudil)
Show SMILES Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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150n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 by homogenous luciferase assay


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


(Homo sapiens (human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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150n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ROCK1 by homogenous luciferase assay


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


(Homo sapiens (human))
BDBM14031
PNG
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)
Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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150 -39.6n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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150n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

Curated by ChEMBL


Assay Description
Inhibition of human leukocytic ROCK1 expressed in insect cells using KKRNRTLSV as substrate after 10 mins by pyruvate kinase/lactate dehydrogenase co...


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


(Homo sapiens (human))
BDBM50027431
PNG
(HYDROXYFASUDIL | Hydroxy-Fasudil)
Show SMILES Oc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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150n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

Curated by ChEMBL


Assay Description
Inhibition of human leukocytic ROCK1 expressed in insect cells using KKRNRTLSV as substrate after 10 mins by pyruvate kinase/lactate dehydrogenase co...


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


(Homo sapiens (human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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150 -39.6n/an/an/an/an/a7.630



Vertex Pharmaceuticals



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...


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


(Homo sapiens (human))
BDBM50097358
PNG
(CHEMBL3581116)
Show SMILES O=C(Cc1ccccc1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H13N3OS/c20-15(10-12-4-2-1-3-5-12)19-16-18-14(11-21-16)13-6-8-17-9-7-13/h1-9,11H,10H2,(H,18,19,20)
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170n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097159
PNG
(CHEMBL3581140)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(N)c2)c1
Show InChI InChI=1S/C17H16N4O2S/c1-23-13-4-2-3-11(7-13)8-16(22)21-17-20-14(10-24-17)12-5-6-19-15(18)9-12/h2-7,9-10H,8H2,1H3,(H2,18,19)(H,20,21,22)
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170n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50310456
PNG
(4-(1-cyclobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-ox...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CCC1
Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-6-1-2-7-10(9)18(13)8-4-3-5-8/h1-2,6-8H,3-5H2,(H2,14,17)
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180n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097158
PNG
(CHEMBL3581139)
Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(C)c2)c1
Show InChI InChI=1S/C18H17N3O2S/c1-12-8-14(6-7-19-12)16-11-24-18(20-16)21-17(22)10-13-4-3-5-15(9-13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21,22)
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210n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant ROCK1 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50168588
PNG
(4-(1-Ethyl-1H-benzoimidazol-2-yl)-furazan-3-ylamin...)
Show SMILES CCn1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)
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330n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50310457
PNG
(4-(1-cyclopentyl-1H-benzo[d]imidazol-2-yl)-1,2,5-o...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CCCC1
Show InChI InChI=1S/C14H15N5O/c15-13-12(17-20-18-13)14-16-10-7-3-4-8-11(10)19(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,15,18)
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340n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50097176
PNG
(CHEMBL3581127)
Show SMILES Nc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
Show InChI InChI=1S/C16H14N4OS/c17-13-3-1-2-11(8-13)9-15(21)20-16-19-14(10-22-16)12-4-6-18-7-5-12/h1-8,10H,9,17H2,(H,19,20,21)
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350n/an/an/an/an/an/an/an/a



?Vertex Pharmaceuticals, Inc., 50 Northern Avenue, Boston, Massachusetts 02210, United States.

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 ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50310459
PNG
(4-(1-(cyclopropylmethyl)-1H-benzo[d]imidazol-2-yl)...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1CC1CC1
Show InChI InChI=1S/C13H13N5O/c14-12-11(16-19-17-12)13-15-9-3-1-2-4-10(9)18(13)7-8-5-6-8/h1-4,8H,5-7H2,(H2,14,17)
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360n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (human))
BDBM50310455
PNG
(4-(1-cyclopropyl-1H-benzo[d]imidazol-2-yl)-1,2,5-o...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1C1CC1
Show InChI InChI=1S/C12H11N5O/c13-11-10(15-18-16-11)12-14-8-3-1-2-4-9(8)17(12)7-5-6-7/h1-4,7H,5-6H2,(H2,13,16)
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450n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of


Citation and Details
More data for this
Ligand-Target Pair
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