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Compile Data Set for Download or QSAR

Found 2260 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase RIO2' 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 Kinase 2


(Homo sapiens (Human))
BDBM217096
PNG
(US9302989, 391)
Show SMILES CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2c[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C30H31N5O2/c1-33-12-14-34(15-13-33)18-21-6-7-23-19-35(20-24(23)16-21)30(37)32-25-10-8-22(9-11-25)28-17-31-29(36)27-5-3-2-4-26(27)28/h2-11,16-17H,12-15,18-20H2,1H3,(H,31,36)(H,32,37)
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0.490n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217092
PNG
(US9302989, 387)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C29H28N4O2/c34-28-26-6-2-1-5-25(26)27(16-30-28)21-9-11-24(12-10-21)31-29(35)33-18-22-8-7-20(15-23(22)19-33)17-32-13-3-4-14-32/h1-2,5-12,15-16H,3-4,13-14,17-19H2,(H,30,34)(H,31,35)
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1.39n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217094
PNG
(US9302989, 389)
Show SMILES CN(C)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c1-30(2)15-18-7-8-20-16-31(17-21(20)13-18)27(33)29-22-11-9-19(10-12-22)25-14-28-26(32)24-6-4-3-5-23(24)25/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,33)
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1.74n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217103
PNG
(US9302989, 398)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCC3)cc2C1
Show InChI InChI=1S/C27H25N5O2/c33-26-24-5-2-1-4-23(24)25(29-30-26)19-8-10-22(11-9-19)28-27(34)32-16-20-7-6-18(14-21(20)17-32)15-31-12-3-13-31/h1-2,4-11,14H,3,12-13,15-17H2,(H,28,34)(H,30,33)
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2.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217085
PNG
(US9302989, 380)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C28H27N5O2/c34-27-25-6-2-1-5-24(25)26(30-31-27)20-9-11-23(12-10-20)29-28(35)33-17-21-8-7-19(15-22(21)18-33)16-32-13-3-4-14-32/h1-2,5-12,15H,3-4,13-14,16-18H2,(H,29,35)(H,31,34)
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2.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217083
PNG
(US9302989, 378)
Show SMILES Fc1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C23H17FN4O2/c24-19-7-3-6-18-20(19)21(26-27-22(18)29)14-8-10-17(11-9-14)25-23(30)28-12-15-4-1-2-5-16(15)13-28/h1-11H,12-13H2,(H,25,30)(H,27,29)
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2.37n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217084
PNG
(US9302989, 379)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C23H17FN4O2/c24-17-8-5-15-12-28(13-16(15)11-17)23(30)25-18-9-6-14(7-10-18)21-19-3-1-2-4-20(19)22(29)27-26-21/h1-11H,12-13H2,(H,25,30)(H,27,29)
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2.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217095
PNG
(US9302989, 390)
Show SMILES CCN(CC)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C29H30N4O2/c1-3-32(4-2)17-20-9-10-22-18-33(19-23(22)15-20)29(35)31-24-13-11-21(12-14-24)27-16-30-28(34)26-8-6-5-7-25(26)27/h5-16H,3-4,17-19H2,1-2H3,(H,30,34)(H,31,35)
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2.45n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217324
PNG
(US9302989, 549)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2cccnc2C1
Show InChI InChI=1S/C22H17N5O2/c28-21-18-6-2-1-5-17(18)20(25-26-21)14-7-9-16(10-8-14)24-22(29)27-12-15-4-3-11-23-19(15)13-27/h1-11H,12-13H2,(H,24,29)(H,26,28)
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3.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217320
PNG
(US9302989, 374)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H18N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-12H,13-14H2,(H,24,29)(H,26,28)
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3.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217088
PNG
(US9302989, 383)
Show SMILES CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C29H30N6O2/c1-33-12-14-34(15-13-33)17-20-6-7-22-18-35(19-23(22)16-20)29(37)30-24-10-8-21(9-11-24)27-25-4-2-3-5-26(25)28(36)32-31-27/h2-11,16H,12-15,17-19H2,1H3,(H,30,37)(H,32,36)
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3.61n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217086
PNG
(US9302989, 381)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCOCC3)cc2C1
Show InChI InChI=1S/C29H28N4O3/c34-28-26-4-2-1-3-25(26)27(16-30-28)21-7-9-24(10-8-21)31-29(35)33-18-22-6-5-20(15-23(22)19-33)17-32-11-13-36-14-12-32/h1-10,15-16H,11-14,17-19H2,(H,30,34)(H,31,35)
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4.12n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217089
PNG
(US9302989, 384)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C25H18N4O2/c26-12-16-5-6-18-14-29(15-19(18)11-16)25(31)28-20-9-7-17(8-10-20)23-13-27-24(30)22-4-2-1-3-21(22)23/h1-11,13H,14-15H2,(H,27,30)(H,28,31)
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4.24n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217321
PNG
(US9302989, 376)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C24H19N3O2/c28-23-21-8-4-3-7-20(21)22(13-25-23)16-9-11-19(12-10-16)26-24(29)27-14-17-5-1-2-6-18(17)15-27/h1-13H,14-15H2,(H,25,28)(H,26,29)
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5.26n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337366
PNG
(2-(1H-indazol-5-yl)-3-phenylimidazo[1,2-a]pyrimidi...)
Show SMILES c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1
Show InChI InChI=1S/C19H13N5/c1-2-5-13(6-3-1)18-17(22-19-20-9-4-10-24(18)19)14-7-8-16-15(11-14)12-21-23-16/h1-12H,(H,21,23)
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PubMed
6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217087
PNG
(US9302989, 382)
Show SMILES COc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H21N3O3/c1-31-20-11-8-17-14-28(15-18(17)12-20)25(30)27-19-9-6-16(7-10-19)23-13-26-24(29)22-5-3-2-4-21(22)23/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
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6.14n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217090
PNG
(US9302989, 385)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C24H18ClN3O2/c25-18-8-5-16-13-28(14-17(16)11-18)24(30)27-19-9-6-15(7-10-19)22-12-26-23(29)21-4-2-1-3-20(21)22/h1-12H,13-14H2,(H,26,29)(H,27,30)
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6.51n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217099
PNG
(US9302989, 394)
Show SMILES FC(F)(F)c1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccc(CN4CCCC4)cc3C2)cc1
Show InChI InChI=1S/C29H26F3N5O2/c30-29(31,32)24-5-3-4-23-25(24)26(34-35-27(23)38)19-8-10-22(11-9-19)33-28(39)37-16-20-7-6-18(14-21(20)17-37)15-36-12-1-2-13-36/h3-11,14H,1-2,12-13,15-17H2,(H,33,39)(H,35,38)
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9.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM97666
PNG
(US8476295, 1.1.04)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1OCCO
Show InChI InChI=1S/C24H30N4O2/c1-16-2-3-17(10-24(16)30-9-8-29)15-28-21-5-6-22(28)13-20(12-21)26-19-4-7-23-18(11-19)14-25-27-23/h2-4,7,10-11,14,20-22,26,29H,5-6,8-9,12-13,15H2,1H3,(H,25,27)
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10n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217093
PNG
(US9302989, 388)
Show SMILES FC(F)(F)c1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C24H17F3N4O2/c25-24(26,27)19-7-3-6-18-20(19)21(29-30-22(18)32)14-8-10-17(11-9-14)28-23(33)31-12-15-4-1-2-5-16(15)13-31/h1-11H,12-13H2,(H,28,33)(H,30,32)
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11.2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217323
PNG
(US9302989, 548)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccncc2C1
Show InChI InChI=1S/C22H17N5O2/c28-21-19-4-2-1-3-18(19)20(25-26-21)14-5-7-17(8-6-14)24-22(29)27-12-15-9-10-23-11-16(15)13-27/h1-11H,12-13H2,(H,24,29)(H,26,28)
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14n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337322
PNG
(5-(1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1...)
Show SMILES Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1Cl
Show InChI InChI=1S/C16H11Cl2N5/c17-13-3-1-2-11(16(13)18)8-23-9-15(21-22-23)10-4-5-14-12(6-10)7-19-20-14/h1-7,9H,8H2,(H,19,20)
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217325
PNG
(US9302989, 550)
Show SMILES O=C(NC1CCC(=CC1)c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1/C24H23N3O2/c28-23-21-8-4-3-7-20(21)22(13-25-23)16-9-11-19(12-10-16)26-24(29)27-14-17-5-1-2-6-18(17)15-27/h1-9,13,19H,10-12,14-15H2,(H,25,28)(H,26,29)
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15.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337325
PNG
(5-(3-benzylisoxazol-5-yl)-1H-indazol-3-amine | CHE...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1cc(Cc2ccccc2)no1
Show InChI InChI=1S/C17H14N4O/c18-17-14-9-12(6-7-15(14)19-20-17)16-10-13(21-22-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H3,18,19,20)
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337310
PNG
(5-(4-benzyl-1H-1,2,3-triazol-1-yl)-1H-indazole | C...)
Show SMILES C(c1cn(nn1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C16H13N5/c1-2-4-12(5-3-1)8-14-11-21(20-18-14)15-6-7-16-13(9-15)10-17-19-16/h1-7,9-11H,8H2,(H,17,19)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337329
PNG
(5-(1-(2,5-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1...)
Show SMILES Clc1ccc(Cl)c(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C16H11Cl2N5/c17-13-2-3-14(18)12(6-13)8-23-9-16(21-22-23)10-1-4-15-11(5-10)7-19-20-15/h1-7,9H,8H2,(H,19,20)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217326
PNG
(US9302989, 551)
Show SMILES O=C(NC1CCC(=CC1)c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1/C23H22N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-9,18H,10-14H2,(H,24,29)(H,26,28)
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18.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337311
PNG
(5-(4-phenethyl-1H-1,2,3-triazol-1-yl)-1H-indazole ...)
Show SMILES C(Cc1ccccc1)c1cn(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H15N5/c1-2-4-13(5-3-1)6-7-15-12-22(21-19-15)16-8-9-17-14(10-16)11-18-20-17/h1-5,8-12H,6-7H2,(H,18,20)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217082
PNG
(US9302989, 377)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H22N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-2,5-6,9-12H,3-4,7-8,13-14H2,(H,24,29)(H,26,28)
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19.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM97664
PNG
(US8476295, 1.1.02)
Show SMILES Cc1ccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C22H26N4/c1-15-2-4-16(5-3-15)14-26-20-7-8-21(26)12-19(11-20)24-18-6-9-22-17(10-18)13-23-25-22/h2-6,9-10,13,19-21,24H,7-8,11-12,14H2,1H3,(H,23,25)
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20n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM97665
PNG
(US8476295, 1.1.03)
Show SMILES OCCOc1cccc(CN2C3CCC2CC(C3)Nc2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C23H28N4O2/c28-8-9-29-22-3-1-2-16(10-22)15-27-20-5-6-21(27)13-19(12-20)25-18-4-7-23-17(11-18)14-24-26-23/h1-4,7,10-11,14,19-21,25,28H,5-6,8-9,12-13,15H2,(H,24,26)
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21n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217105
PNG
(US9302989, 400)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2cccn12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C26H26N6O2/c33-25-23-4-3-13-32(23)24(28-29-25)19-7-9-22(10-8-19)27-26(34)31-16-20-6-5-18(14-21(20)17-31)15-30-11-1-2-12-30/h3-10,13-14H,1-2,11-12,15-17H2,(H,27,34)(H,29,33)
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25.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337324
PNG
(3-benzyl-5-(1H-indazol-5-yl)isoxazole | CHEMBL1682...)
Show SMILES C(c1cc(on1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-2-4-12(5-3-1)8-15-10-17(21-20-15)13-6-7-16-14(9-13)11-18-19-16/h1-7,9-11H,8H2,(H,18,19)
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM97663
PNG
(US8476295, 1.1.01)
Show SMILES C(N1C2CCC1CC(C2)Nc1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C21H24N4/c1-2-4-15(5-3-1)14-25-19-7-8-20(25)12-18(11-19)23-17-6-9-21-16(10-17)13-22-24-21/h1-6,9-10,13,18-20,23H,7-8,11-12,14H2,(H,22,24)
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29n/an/an/an/an/an/a7.2n/a



Inspire

US Patent


Assay Description
Inhibition of Rho kinase 2 and Rho kinase I activity was determined using the IMAP Screening Express Kit (Molecular Devices product number #8073).


US Patent US8476295 (2013)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217100
PNG
(US9302989, 395)
Show SMILES CN1CCC(CC1)Oc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C29H29N5O3/c1-33-14-12-23(13-15-33)37-24-11-8-20-17-34(18-21(20)16-24)29(36)30-22-9-6-19(7-10-22)27-25-4-2-3-5-26(25)28(35)32-31-27/h2-11,16,23H,12-15,17-18H2,1H3,(H,30,36)(H,32,35)
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32.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337317
PNG
(5-(1-(3-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C16H12ClN5/c17-14-3-1-2-11(6-14)9-22-10-16(20-21-22)12-4-5-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337323
PNG
(5-(1-(3,5-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1...)
Show SMILES Clc1cc(Cl)cc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Show InChI InChI=1S/C16H11Cl2N5/c17-13-3-10(4-14(18)6-13)8-23-9-16(21-22-23)11-1-2-15-12(5-11)7-19-20-15/h1-7,9H,8H2,(H,19,20)
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41n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337308
PNG
(5-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1H-indazol...)
Show SMILES C1CCC(C1)c1cn(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H15N5/c1-2-4-10(3-1)14-9-19(18-17-14)12-5-6-13-11(7-12)8-15-16-13/h5-10H,1-4H2,(H,15,16)
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44n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337312
PNG
(5-(4-(3-phenylpropyl)-1H-1,2,3-triazol-1-yl)-1H-in...)
Show SMILES C(Cc1cn(nn1)-c1ccc2[nH]ncc2c1)Cc1ccccc1
Show InChI InChI=1S/C18H17N5/c1-2-5-14(6-3-1)7-4-8-16-13-23(22-20-16)17-9-10-18-15(11-17)12-19-21-18/h1-3,5-6,9-13H,4,7-8H2,(H,19,21)
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62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337315
PNG
(5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazol-3-am...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N6/c17-16-13-8-12(6-7-14(13)18-20-16)15-10-22(21-19-15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H3,17,18,20)
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64n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337378
PNG
(2-(1H-indazol-5-yl)-N-isopropylimidazo[1,2-a]pyrim...)
Show SMILES CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N6/c1-10(2)19-15-14(20-16-17-6-3-7-22(15)16)11-4-5-13-12(8-11)9-18-21-13/h3-10,19H,1-2H3,(H,18,21)
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65n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337318
PNG
(5-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Clc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Show InChI InChI=1S/C16H12ClN5/c17-14-4-1-11(2-5-14)9-22-10-16(20-21-22)12-3-6-15-13(7-12)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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68n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337316
PNG
(5-(1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-in...)
Show SMILES Clc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H12ClN5/c17-14-4-2-1-3-12(14)9-22-10-16(20-21-22)11-5-6-15-13(7-11)8-18-19-15/h1-8,10H,9H2,(H,18,19)
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97n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337314
PNG
(5-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-indazole | C...)
Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5/c1-2-4-12(5-3-1)10-21-11-16(19-20-21)13-6-7-15-14(8-13)9-17-18-15/h1-9,11H,10H2,(H,17,18)
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97n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337309
PNG
(5-(4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl)-1H-...)
Show SMILES C(C1CCCCC1)c1cn(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H19N5/c1-2-4-12(5-3-1)8-14-11-21(20-18-14)15-6-7-16-13(9-15)10-17-19-16/h6-7,9-12H,1-5,8H2,(H,17,19)
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337304
PNG
(5-(4-propyl-1H-1,2,3-triazol-1-yl)-1H-indazole | C...)
Show SMILES CCCc1cn(nn1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C12H13N5/c1-2-3-10-8-17(16-14-10)11-4-5-12-9(6-11)7-13-15-12/h4-8H,2-3H2,1H3,(H,13,15)
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108n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337326
PNG
(5-(1H-indazol-5-yl)-3-propylisoxazole | CHEMBL1682...)
Show SMILES CCCc1cc(on1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C13H13N3O/c1-2-3-11-7-13(17-16-11)9-4-5-12-10(6-9)8-14-15-12/h4-8H,2-3H2,1H3,(H,14,15)
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113n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2 after 1 hr using biotinylated longS peptide as substrate


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337379
PNG
(CHEMBL1682554 | N-butyl-2-(1H-indazol-5-yl)imidazo...)
Show SMILES CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H18N6/c1-2-3-7-18-16-15(21-17-19-8-4-9-23(16)17)12-5-6-14-13(10-12)11-20-22-14/h4-6,8-11,18H,2-3,7H2,1H3,(H,20,22)
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116n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM50337371
PNG
(CHEMBL1682546 | N-benzyl-4-(1H-indazol-5-yl)thiazo...)
Show SMILES C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Show InChI InChI=1S/C17H14N4S/c1-2-4-12(5-3-1)9-18-17-20-16(11-22-17)13-6-7-15-14(8-13)10-19-21-15/h1-8,10-11H,9H2,(H,18,20)(H,19,21)
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136n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Rock2


Citation and Details
More data for this
Ligand-Target Pair
Rho Kinase 2


(Homo sapiens (Human))
BDBM217102
PNG
(US9302989, 397)
Show SMILES F[C@H]1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1
Show InChI InChI=1S/C28H26FN5O2/c29-22-11-12-33(17-22)14-18-5-6-20-15-34(16-21(20)13-18)28(36)30-23-9-7-19(8-10-23)26-24-3-1-2-4-25(24)27(35)32-31-26/h1-10,13,22H,11-12,14-17H2,(H,30,36)(H,32,35)/t22-/m0/s1
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US Patent
138n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


US Patent US9302989 (2016)

More data for this
Ligand-Target Pair
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