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Compile Data Set for Download or QSAR

Found 203 hits with Last Name = 'weiser' and Initial = 'a'   
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))
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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n/an/a<1n/an/an/an/an/an/a



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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n/an/a<1n/an/an/an/an/an/a



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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n/an/a<1n/an/an/an/an/an/a



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))
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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n/an/a 1n/an/an/an/an/an/a



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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n/an/a<1n/an/an/an/an/an/a



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 [1-543,T431N]


(Homo sapiens (Human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
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n/an/a 1.5n/an/an/an/a7.022



The Scripps Research Institute



Assay Description
Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256384
PNG
(6-chloro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)
Show SMILES COc1cc(NC(=O)C2COc3ccc(Cl)cc3C2)ccc1-c1cn[nH]c1
Show InChI InChI=1S/C20H18ClN3O3/c1-26-19-8-16(3-4-17(19)14-9-22-23-10-14)24-20(25)13-6-12-7-15(21)2-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324604
PNG
(CHEMBL1215021 | N-(4-(1H-Pyrazol-4-yl)phenyl)-2-am...)
Show SMILES NC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C18H17ClN4O/c19-15-5-1-12(2-6-15)9-17(20)18(24)23-16-7-3-13(4-8-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



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))
BDBM50246455
PNG
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(pyridin-4-yl)-1...)
Show SMILES C1Oc2ccccc2CC1c1nc2ccc(cc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



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))
BDBM50245868
PNG
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)benzo[...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H18N4O3/c1-26-15-3-5-18-13(9-15)8-14(11-27-18)20-24-17-4-2-12(10-19(17)28-20)16-6-7-23-21(22)25-16/h2-7,9-10,14H,8,11H2,1H3,(H2,22,23,25)
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n/an/a 2n/an/an/an/an/an/a



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))
BDBM50246409
PNG
(CHEMBL455658 | N-(4-(1H-pyrazol-4-yl)phenyl)-3,4-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2C1
Show InChI InChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23)
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n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256067
PNG
(CHEMBL481685 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6-(...)
Show SMILES CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C24H27N5O3/c1-29(2)10-9-25-23(30)17-5-8-22-18(11-17)12-19(15-32-22)24(31)28-21-6-3-16(4-7-21)20-13-26-27-14-20/h3-8,11,13-14,19H,9-10,12,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31)
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n/an/a<2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246458
PNG
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-be...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H19N5O2/c1-27-15-3-5-19-13(9-15)8-14(11-28-19)20-24-17-4-2-12(10-18(17)25-20)16-6-7-23-21(22)26-16/h2-7,9-10,14H,8,11H2,1H3,(H,24,25)(H2,22,23,26)
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n/an/a 2n/an/an/an/an/an/a



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))
BDBM50324592
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H30FN5O2/c1-4-31-16-18-8-6-5-7-17(18)11-23(31)25(32)29-22-13-21(26)20(19-14-27-28-15-19)12-24(22)33-10-9-30(2)3/h5-8,12-15,23H,4,9-11,16H2,1-3H3,(H,27,28)(H,29,32)/t23-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



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))
BDBM50256436
PNG
(CHEMBL481735 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C24H28N4O3/c1-16-4-7-22-18(10-16)11-19(15-31-22)24(29)27-21-6-5-17(20-13-25-26-14-20)12-23(21)30-9-8-28(2)3/h4-7,10,12-14,19H,8-9,11,15H2,1-3H3,(H,25,26)(H,27,29)
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n/an/a<2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256322
PNG
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29)
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n/an/a<2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
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n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256383
PNG
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29)
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n/an/a<2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246409
PNG
(CHEMBL455658 | N-(4-(1H-pyrazol-4-yl)phenyl)-3,4-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2C1
Show InChI InChI=1S/C19H17N3O2/c23-19(15-9-14-3-1-2-4-18(14)24-12-15)22-17-7-5-13(6-8-17)16-10-20-21-11-16/h1-8,10-11,15H,9,12H2,(H,20,21)(H,22,23)
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n/an/a<2n/an/an/an/an/an/a



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))
BDBM50256166
PNG
(CHEMBL475601 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-met...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H19N3O3/c1-25-18-6-7-19-14(9-18)8-15(12-26-19)20(24)23-17-4-2-13(3-5-17)16-10-21-22-11-16/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256382
PNG
(6-fluoro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256069
PNG
(6-methoxy-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OC)-c1cn[nH]c1
Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-14(8-17)7-15(12-28-19)21(25)24-18-5-3-13(9-20(18)27-2)16-10-22-23-11-16/h3-6,8-11,15H,7,12H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256111
PNG
(CHEMBL480586 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-13(16-10-21-22-11-16)6-7-17(19)23-20(24)15-8-14-4-2-3-5-18(14)26-12-15/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256068
PNG
(6-methoxy-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256385
PNG
(6-chloro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H18ClN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256163
PNG
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324602
PNG
((R)-6-Methoxy-N-(2-(1-methylpiperidin-4-yloxy)-4-(...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OC1CCN(C)CC1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C26H31N5O3/c1-31-9-7-21(8-10-31)34-25-13-17(20-15-28-29-16-20)4-6-23(25)30-26(32)24-12-19-11-22(33-2)5-3-18(19)14-27-24/h3-6,11,13,15-16,21,24,27H,7-10,12,14H2,1-2H3,(H,28,29)(H,30,32)/t24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



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))
BDBM50324605
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)6-7-33-23-10-19(17-13-27-28-14-17)20(25)11-21(23)29-24(31)22-9-16-8-18(32-3)5-4-15(16)12-26-22/h4-5,8,10-11,13-14,22,26H,6-7,9,12H2,1-3H3,(H,27,28)(H,29,31)/t22-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



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 [1-543,T431N]


(Homo sapiens (Human))
BDBM25474
PNG
(JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
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n/an/a 3.20n/an/an/an/a7.022



The Scripps Research Institute



Assay Description
Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N]


(Homo sapiens (Human))
BDBM25473
PNG
(N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 3.30n/an/an/an/a7.022



The Scripps Research Institute



Assay Description
Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256435
PNG
(CHEMBL519269 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C21H21N3O3/c1-13-3-6-19-15(7-13)8-16(12-27-19)21(25)24-18-5-4-14(9-20(18)26-2)17-10-22-23-11-17/h3-7,9-11,16H,8,12H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256112
PNG
(CHEMBL519101 | N-(2-fluoro-4-(1H-pyrazol-4-yl)phen...)
Show SMILES Fc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16FN3O2/c20-16-8-12(15-9-21-22-10-15)5-6-17(16)23-19(24)14-7-13-3-1-2-4-18(13)25-11-14/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24)
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256113
PNG
(CHEMBL480746 | N-(3,5-difluoro-4-(1H-pyrazol-4-yl)...)
Show SMILES Fc1cc(NC(=O)C2COc3ccccc3C2)cc(F)c1-c1cn[nH]c1
Show InChI InChI=1S/C19H15F2N3O2/c20-15-6-14(7-16(21)18(15)13-8-22-23-9-13)24-19(25)12-5-11-3-1-2-4-17(11)26-10-12/h1-4,6-9,12H,5,10H2,(H,22,23)(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256223
PNG
(CHEMBL475612 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-flu...)
Show SMILES Fc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16FN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24)
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256110
PNG
(CHEMBL480585 | N-(3-methoxy-4-(1H-pyrazol-4-yl)phe...)
Show SMILES COc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1
Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-16(6-7-17(19)15-10-21-22-11-15)23-20(24)14-8-13-4-2-3-5-18(13)26-12-14/h2-7,9-11,14H,8,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324590
PNG
((R)-N-(2-(4-(Dimethylamino)-4-oxobutylthio)-4-(3-m...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCC(=O)N(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H29N5O3S/c1-30(2)24(31)8-9-34-23-12-16(19-14-27-28-15-19)5-7-21(23)29-25(32)22-11-18-10-20(33-3)6-4-17(18)13-26-22/h4-7,10,12,14-15,22,26H,8-9,11,13H2,1-3H3,(H,27,28)(H,29,32)/t22-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



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))
BDBM50256224
PNG
(CHEMBL475613 | N-(4-(1H-pyrazol-4-yl)phenyl)-6-chl...)
Show SMILES Clc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C19H16ClN3O2/c20-16-3-6-18-13(8-16)7-14(11-25-18)19(24)23-17-4-1-12(2-5-17)15-9-21-22-10-15/h1-6,8-10,14H,7,11H2,(H,21,22)(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256114
PNG
(CHEMBL481731 | N-(5-fluoro-2-methoxy-4-(1H-pyrazol...)
Show SMILES COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)C1COc2ccccc2C1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-7-15(14-9-22-23-10-14)16(21)8-17(19)24-20(25)13-6-12-4-2-3-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256386
PNG
(6-chloro-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyra...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25ClN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29)
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PubMed
n/an/a 5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256163
PNG
(CHEMBL474425 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H26N4O3/c1-27(2)9-10-29-22-12-16(19-13-24-25-14-19)7-8-20(22)26-23(28)18-11-17-5-3-4-6-21(17)30-15-18/h3-8,12-14,18H,9-11,15H2,1-2H3,(H,24,25)(H,26,28)
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n/an/a 6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256069
PNG
(6-methoxy-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OC)-c1cn[nH]c1
Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-14(8-17)7-15(12-28-19)21(25)24-18-5-3-13(9-20(18)27-2)16-10-22-23-11-16/h3-6,8-11,15H,7,12H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256382
PNG
(6-fluoro-N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-12(15-9-22-23-10-15)2-4-17(19)24-20(25)14-6-13-7-16(21)3-5-18(13)27-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256383
PNG
(CHEMBL481545 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25FN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29)
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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256322
PNG
(CHEMBL482336 | N-(2-(2-(dimethylamino)ethoxy)-4-(1...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29)
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PubMed
n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256323
PNG
(6-fluoro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)ch...)
Show SMILES COc1cc(NC(=O)C2COc3ccc(F)cc3C2)ccc1-c1cn[nH]c1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-8-16(3-4-17(19)14-9-22-23-10-14)24-20(25)13-6-12-7-15(21)2-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256386
PNG
(6-chloro-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyra...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C23H25ClN4O3/c1-28(2)7-8-30-22-11-15(18-12-25-26-13-18)3-5-20(22)27-23(29)17-9-16-10-19(24)4-6-21(16)31-14-17/h3-6,10-13,17H,7-9,14H2,1-2H3,(H,25,26)(H,27,29)
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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256111
PNG
(CHEMBL480586 | N-(2-methoxy-4-(1H-pyrazol-4-yl)phe...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H19N3O3/c1-25-19-9-13(16-10-21-22-11-16)6-7-17(19)23-20(24)15-8-14-4-2-3-5-18(14)26-12-15/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24)
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n/an/a 6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256114
PNG
(CHEMBL481731 | N-(5-fluoro-2-methoxy-4-(1H-pyrazol...)
Show SMILES COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)C1COc2ccccc2C1
Show InChI InChI=1S/C20H18FN3O3/c1-26-19-7-15(14-9-22-23-10-14)16(21)8-17(19)24-20(25)13-6-12-4-2-3-5-18(12)27-11-13/h2-5,7-10,13H,6,11H2,1H3,(H,22,23)(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50256068
PNG
(6-methoxy-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)c...)
Show SMILES COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6406-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.080
BindingDB Entry DOI: 10.7270/Q2KK9BMC
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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n/an/a<6n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


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
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