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Compile Data Set for Download or QSAR

Found 996 hits with Last Name = 'yin' and Initial = 'y'   
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 2


(Homo sapiens (Human))
BDBM50311713
PNG
(CHEMBL1080279 | N-(2-(dimethylamino)ethyl)-N-(3-me...)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H25N5O2S/c1-27(2)9-10-28(15-16-5-4-6-19(11-16)30-3)23(29)22-26-20-8-7-17(12-21(20)31-22)18-13-24-25-14-18/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,25)
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n/an/a 0.400n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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n/an/a 0.540n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) assessed as inhibition of acetylcholine hydrolysis after 30 mins by Ellmann's method


J Nat Prod 77: 2054-9 (2014)


Article DOI: 10.1021/np500412f
BindingDB Entry DOI: 10.7270/Q2BC4147
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50311728
PNG
(3-(6-(1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)-N-(3-(...)
Show SMILES CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Show InChI InChI=1S/C25H27N5O2S/c1-30(2)9-3-8-26-24(31)17-5-7-22-18(10-17)11-19(15-32-22)25-29-21-6-4-16(12-23(21)33-25)20-13-27-28-14-20/h4-7,10,12-14,19H,3,8-9,11,15H2,1-2H3,(H,26,31)(H,27,28)
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Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 19: 6686-90 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.115
BindingDB Entry DOI: 10.7270/Q2VX0GN0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358711
PNG
(CHEMBL1922126)
Show SMILES COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C26H31N5O2/c1-29(2)11-6-12-31(17-19-7-5-8-22(13-19)33-4)26(32)24-18-30(3)25-14-20(9-10-23(24)25)21-15-27-28-16-21/h5,7-10,13-16,18H,6,11-12,17H2,1-4H3,(H,27,28)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358712
PNG
(CHEMBL1922127)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H29N5O2/c1-28(2)10-11-30(16-18-6-5-7-21(12-18)32-4)25(31)23-17-29(3)24-13-19(8-9-22(23)24)20-14-26-27-15-20/h5-9,12-15,17H,10-11,16H2,1-4H3,(H,26,27)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358713
PNG
(CHEMBL1922128)
Show SMILES COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H24N4O3/c1-30-19-5-2-4-16(10-19)12-24-23(29)21-15-27(8-3-9-28)22-11-17(6-7-20(21)22)18-13-25-26-14-18/h2,4-7,10-11,13-15,28H,3,8-9,12H2,1H3,(H,24,29)(H,25,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431144
PNG
(CHEMBL2332099)
Show SMILES COc1cccc(CN(C2CC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-4-2-3-15(11-20)14-25(19-9-10-19)21(26)24-18-7-5-16(6-8-18)17-12-22-23-13-17/h2-8,11-13,19H,9-10,14H2,1H3,(H,22,23)(H,24,26)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069309
PNG
(CHEMBL3402471)
Show SMILES OCCOc1cc(ccc1NC(=O)N(CCO)Cc1ccccc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24N4O4/c26-9-8-25(15-16-4-2-1-3-5-16)21(28)24-19-7-6-17(18-13-22-23-14-18)12-20(19)29-11-10-27/h1-7,12-14,26-27H,8-11,15H2,(H,22,23)(H,24,28)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431134
PNG
(CHEMBL2332068)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431135
PNG
(CHEMBL2332065)
Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431145
PNG
(CHEMBL2332098)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H22N4O2/c1-3-24(14-15-5-4-6-19(11-15)26-2)20(25)23-18-9-7-16(8-10-18)17-12-21-22-13-17/h4-13H,3,14H2,1-2H3,(H,21,22)(H,23,25)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431134
PNG
(CHEMBL2332068)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431143
PNG
(CHEMBL2332057)
Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c24-11-10-18(15-4-2-1-3-5-15)23-19(25)22-17-8-6-14(7-9-17)16-12-20-21-13-16/h1-9,12-13,18,24H,10-11H2,(H,20,21)(H2,22,23,25)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431137
PNG
(CHEMBL2332060)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069134
PNG
(CHEMBL3402458)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2N(C)CCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H30N6O2/c1-28(2)10-11-29(3)22-13-18(19-15-25-26-16-19)8-9-21(22)27-23(30)24-14-17-6-5-7-20(12-17)31-4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H,25,26)(H2,24,27,30)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069135
PNG
(CHEMBL3402459)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2OCCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C23H29N5O3/c1-27(2)10-11-31-22-13-18(19-14-24-25-15-19)8-9-21(22)26-23(29)28(3)16-17-6-5-7-20(12-17)30-4/h5-9,12-15H,10-11,16H2,1-4H3,(H,24,25)(H,26,29)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069136
PNG
(CHEMBL3402460)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2OCCN2CCCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H31N5O3/c1-29(18-19-6-5-7-22(14-19)32-2)25(31)28-23-9-8-20(21-16-26-27-17-21)15-24(23)33-13-12-30-10-3-4-11-30/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,26,27)(H,28,31)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069139
PNG
(CHEMBL3402463)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1
Show InChI InChI=1S/C26H33N5O3/c1-3-31(19-20-7-6-8-23(15-20)33-2)26(32)29-24-10-9-21(22-17-27-28-18-22)16-25(24)34-14-13-30-11-4-5-12-30/h6-10,15-18H,3-5,11-14,19H2,1-2H3,(H,27,28)(H,29,32)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431145
PNG
(CHEMBL2332098)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H22N4O2/c1-3-24(14-15-5-4-6-19(11-15)26-2)20(25)23-18-9-7-16(8-10-18)17-12-21-22-13-17/h4-13H,3,14H2,1-2H3,(H,21,22)(H,23,25)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069231
PNG
(CHEMBL3402452)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2N(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H23N5O2/c1-25(2)19-10-15(16-12-22-23-13-16)7-8-18(19)24-20(26)21-11-14-5-4-6-17(9-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,23)(H2,21,24,26)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069232
PNG
(CHEMBL3402453)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2OC)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H20N4O3/c1-25-16-5-3-4-13(8-16)10-20-19(24)23-17-7-6-14(9-18(17)26-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22)(H2,20,23,24)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069233
PNG
(CHEMBL3402454)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2Cl)-c2cn[nH]c2)c1
Show InChI InChI=1S/C18H17ClN4O2/c1-25-15-4-2-3-12(7-15)9-20-18(24)23-17-6-5-13(8-16(17)19)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,21,22)(H2,20,23,24)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069234
PNG
(CHEMBL3402455)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2F)-c2cn[nH]c2)c1
Show InChI InChI=1S/C18H17FN4O2/c1-25-15-4-2-3-12(7-15)9-20-18(24)23-17-6-5-13(8-16(17)19)14-10-21-22-11-14/h2-8,10-11H,9H2,1H3,(H,21,22)(H2,20,23,24)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069238
PNG
(CHEMBL3402456)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2OCCN(C)C)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)9-10-30-21-12-17(18-14-24-25-15-18)7-8-20(21)26-22(28)23-13-16-5-4-6-19(11-16)29-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,24,25)(H2,23,26,28)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069240
PNG
(CHEMBL3402457)
Show SMILES COc1cccc(CNC(=O)Nc2ccc(cc2OCCN2CCCC2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C24H29N5O3/c1-31-21-6-4-5-18(13-21)15-25-24(30)28-22-8-7-19(20-16-26-27-17-20)14-23(22)32-12-11-29-9-2-3-10-29/h4-8,13-14,16-17H,2-3,9-12,15H2,1H3,(H,26,27)(H2,25,28,30)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431144
PNG
(CHEMBL2332099)
Show SMILES COc1cccc(CN(C2CC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-4-2-3-15(11-20)14-25(19-9-10-19)21(26)24-18-7-5-16(6-8-18)17-12-22-23-13-17/h2-8,11-13,19H,9-10,14H2,1H3,(H,22,23)(H,24,26)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431135
PNG
(CHEMBL2332065)
Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431138
PNG
(CHEMBL2332097)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H20N4O2/c1-23(13-14-4-3-5-18(10-14)25-2)19(24)22-17-8-6-15(7-9-17)16-11-20-21-12-16/h3-12H,13H2,1-2H3,(H,20,21)(H,22,24)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431137
PNG
(CHEMBL2332060)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431143
PNG
(CHEMBL2332057)
Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c24-11-10-18(15-4-2-1-3-5-15)23-19(25)22-17-8-6-14(7-9-17)16-12-20-21-13-16/h1-9,12-13,18,24H,10-11H2,(H,20,21)(H2,22,23,25)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50069307
PNG
(CHEMBL2332067)
Show SMILES COc1cccc(CN(CCN)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H23N5O2/c1-27-19-4-2-3-15(11-19)14-25(10-9-21)20(26)24-18-7-5-16(6-8-18)17-12-22-23-13-17/h2-8,11-13H,9-10,14,21H2,1H3,(H,22,23)(H,24,26)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431138
PNG
(CHEMBL2332097)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H20N4O2/c1-23(13-14-4-3-5-18(10-14)25-2)19(24)22-17-8-6-15(7-9-17)16-11-20-21-12-16/h3-12H,13H2,1-2H3,(H,20,21)(H,22,24)
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Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324585
PNG
(CHEMBL1215022 | N-(4-(1H-Pyrazol-4-yl)phenyl)-2-am...)
Show SMILES NC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O/c18-14-5-1-12(2-6-14)16(19)17(23)22-15-7-3-11(4-8-15)13-9-20-21-10-13/h1-10,16H,19H2,(H,20,21)(H,22,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324574
PNG
((R)-6-Methoxy-N-(2-((1-methylpiperidin-4-yl)methox...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C27H33N5O3/c1-32-9-7-18(8-10-32)17-35-26-13-19(22-15-29-30-16-22)4-6-24(26)31-27(33)25-12-21-11-23(34-2)5-3-20(21)14-28-25/h3-6,11,13,15-16,18,25,28H,7-10,12,14,17H2,1-2H3,(H,29,30)(H,31,33)/t25-/m1/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246461
PNG
(4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H18FN5O2/c1-28-14-2-3-18-12(7-14)6-13(10-29-18)20-25-17-9-11(8-15(22)19(17)27-20)16-4-5-24-21(23)26-16/h2-5,7-9,13H,6,10H2,1H3,(H,25,27)(H2,23,24,26)
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The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246460
PNG
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)
Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C28H24N6O2/c29-28-30-11-10-22(34-28)18-6-8-23-24(14-18)33-26(32-23)21-13-20-12-19(7-9-25(20)36-16-21)27(35)31-15-17-4-2-1-3-5-17/h1-12,14,21H,13,15-16H2,(H,31,35)(H,32,33)(H2,29,30,34)
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The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246459
PNG
(3-(6-(2-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2...)
Show SMILES Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NC1CC1
Show InChI InChI=1S/C24H22N6O2/c25-24-26-8-7-18(30-24)13-1-5-19-20(11-13)29-22(28-19)16-10-15-9-14(2-6-21(15)32-12-16)23(31)27-17-3-4-17/h1-2,5-9,11,16-17H,3-4,10,12H2,(H,27,31)(H,28,29)(H2,25,26,30)
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The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50338718
PNG
(2-(6-fluorochroman-3-yl)-8-methoxy-6-(1H-pyrazol-4...)
Show SMILES COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C21H17FN4O3/c1-28-18-7-11(14-8-23-24-9-14)6-16-19(18)25-20(26-21(16)27)13-4-12-5-15(22)2-3-17(12)29-10-13/h2-3,5-9,13H,4,10H2,1H3,(H,23,24)(H,25,26,27)
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Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026330
PNG
(CHEMBL1684210)
Show SMILES O=C(NCCN1CCOCC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C27H28N6O4/c34-26(28-5-6-33-7-9-36-10-8-33)18-2-4-24-19(11-18)12-20(16-37-24)25-31-23-3-1-17(21-14-29-30-15-21)13-22(23)27(35)32-25/h1-4,11,13-15,20H,5-10,12,16H2,(H,28,34)(H,29,30)(H,31,32,35)
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026332
PNG
(CHEMBL1684209)
Show SMILES O=C(NCCc1ccccn1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C28H24N6O3/c35-27(30-10-8-22-3-1-2-9-29-22)18-5-7-25-19(11-18)12-20(16-37-25)26-33-24-6-4-17(21-14-31-32-15-21)13-23(24)28(36)34-26/h1-7,9,11,13-15,20H,8,10,12,16H2,(H,30,35)(H,31,32)(H,33,34,36)
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50338703
PNG
(CHEMBL1684208 | N-cyclopropyl-3-(4-oxo-6-(1H-pyraz...)
Show SMILES O=C(NC1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C24H21N5O3/c30-23(27-18-3-4-18)14-2-6-21-15(7-14)8-16(12-32-21)22-28-20-5-1-13(17-10-25-26-11-17)9-19(20)24(31)29-22/h1-2,5-7,9-11,16,18H,3-4,8,12H2,(H,25,26)(H,27,30)(H,28,29,31)
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n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026328
PNG
(CHEMBL1684207)
Show SMILES COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C24H23N5O4/c1-32-7-6-25-23(30)15-3-5-21-16(8-15)9-17(13-33-21)22-28-20-4-2-14(18-11-26-27-12-18)10-19(20)24(31)29-22/h2-5,8,10-12,17H,6-7,9,13H2,1H3,(H,25,30)(H,26,27)(H,28,29,31)
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50338722
PNG
(8-methoxy-2-((3-methoxyphenoxy)methyl)-6-(1H-pyraz...)
Show SMILES COc1cccc(OCc2nc3c(OC)cc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O4/c1-26-14-4-3-5-15(8-14)28-11-18-23-19-16(20(25)24-18)6-12(7-17(19)27-2)13-9-21-22-10-13/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24,25)
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Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026327
PNG
(CHEMBL1684206)
Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
Show InChI InChI=1/C25H26N6O3/c1-31(2)8-7-26-24(32)16-4-6-22-17(9-16)10-18(14-34-22)23-29-21-5-3-15(19-12-27-28-13-19)11-20(21)25(33)30-23/h3-6,9,11-13,18H,7-8,10,14H2,1-2H3,(H,26,32)(H,27,28)(H,29,30,33)
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Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026346
PNG
(CHEMBL1684201)
Show SMILES [H][C@]1(COc2ccc(OC)cc2C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1/C21H18N4O3/c1-27-16-3-5-19-13(7-16)6-14(11-28-19)20-24-18-4-2-12(15-9-22-23-10-15)8-17(18)21(26)25-20/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25,26)/t14-/s2
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50026347
PNG
(CHEMBL1684197)
Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccccc2C1
Show InChI InChI=1/C20H16N4O2/c25-20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24-20)14-7-13-3-1-2-4-18(13)26-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24,25)
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 by HTRF assay


Bioorg Med Chem Lett 21: 1844-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.039
BindingDB Entry DOI: 10.7270/Q20G3KFF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431137
PNG
(CHEMBL2332060)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431143
PNG
(CHEMBL2332057)
Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c24-11-10-18(15-4-2-1-3-5-15)23-19(25)22-17-8-6-14(7-9-17)16-12-20-21-13-16/h1-9,12-13,18,24H,10-11H2,(H,20,21)(H2,22,23,25)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431134
PNG
(CHEMBL2332068)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431135
PNG
(CHEMBL2332065)
Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26)
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n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
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