BindingDB logo
myBDB logout

PubMed code 20684608

Compile data set for download or QSAR
Found 73 hits of Enzyme Inhibition Constant Data   
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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324599
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)-2-(2-(pyrrolidin-1-yl)e...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C26H31N5O3/c1-33-22-6-4-19-15-27-24(13-20(19)12-22)26(32)30-23-7-5-18(21-16-28-29-17-21)14-25(23)34-11-10-31-8-2-3-9-31/h4-7,12,14,16-17,24,27H,2-3,8-11,13,15H2,1H3,(H,28,29)(H,30,32)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324578
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324581
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2ccccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H27N5O2/c1-28(2)9-10-30-22-12-17(19-14-25-26-15-19)7-8-20(22)27-23(29)21-11-16-5-3-4-6-18(16)13-24-21/h3-8,12,14-15,21,24H,9-11,13H2,1-2H3,(H,25,26)(H,27,29)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324573
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324580
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2ccccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H27N5O2/c1-28(2)9-10-30-22-12-17(19-14-25-26-15-19)7-8-20(22)27-23(29)21-11-16-5-3-4-6-18(16)13-24-21/h3-8,12,14-15,21,24H,9-11,13H2,1-2H3,(H,25,26)(H,27,29)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324579
PNG
((R)-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CCN1Cc2ccc(OC)cc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C26H32FN5O3/c1-5-32-16-17-6-7-20(34-4)10-18(17)11-24(32)26(33)30-23-13-22(27)21(19-14-28-29-15-19)12-25(23)35-9-8-31(2)3/h6-7,10,12-15,24H,5,8-9,11,16H2,1-4H3,(H,28,29)(H,30,33)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324577
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324594
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-flu...)
Show SMILES N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H17FN4O/c19-15-3-1-2-12(8-15)9-17(20)18(24)23-16-6-4-13(5-7-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324578
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 15n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324598
PNG
((R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(1H-pyrazo...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O2S/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 15n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324601
PNG
((R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(3-methyl-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C25H31N5O2S/c1-16-21(15-27-29-16)17-6-8-22(24(13-17)33-10-9-30(2)3)28-25(31)23-12-19-11-20(32-4)7-5-18(19)14-26-23/h5-8,11,13,15,23,26H,9-10,12,14H2,1-4H3,(H,27,29)(H,28,31)/t23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324603
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C |r|
Show InChI InChI=1S/C24H28FN5O2/c1-29(2)8-9-32-23-11-19(18-13-26-27-14-18)20(25)12-21(23)28-24(31)22-10-16-6-4-5-7-17(16)15-30(22)3/h4-7,11-14,22H,8-10,15H2,1-3H3,(H,26,27)(H,28,31)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324582
PNG
((R)-2-(Cyclopropylmethyl)-N-(2-(2-(dimethylamino)e...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1CC1CC1 |r|
Show InChI InChI=1S/C27H32FN5O2/c1-32(2)9-10-35-26-12-22(21-14-29-30-15-21)23(28)13-24(26)31-27(34)25-11-19-5-3-4-6-20(19)17-33(25)16-18-7-8-18/h3-6,12-15,18,25H,7-11,16-17H2,1-2H3,(H,29,30)(H,31,34)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324588
PNG
(2-Amino-2-(4-chlorophenyl)-N-(2-(2-(dimethylamino)...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)9-10-29-19-11-15(16-12-24-25-13-16)5-8-18(19)26-21(28)20(23)14-3-6-17(22)7-4-14/h3-8,11-13,20H,9-10,23H2,1-2H3,(H,24,25)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324587
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324586
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-6-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1c(F)cc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)6-7-33-22-11-17(18-13-27-28-14-18)9-20(25)23(22)29-24(31)21-10-16-8-19(32-3)5-4-15(16)12-26-21/h4-5,8-9,11,13-14,21,26H,6-7,10,12H2,1-3H3,(H,27,28)(H,29,31)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324584
PNG
((R)-6-Methoxy-N-(2-(2-methoxyethoxy)-4-(1H-pyrazol...)
Show SMILES COCCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(OC)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26N4O4/c1-29-7-8-31-22-11-15(18-13-25-26-14-18)4-6-20(22)27-23(28)21-10-17-9-19(30-2)5-3-16(17)12-24-21/h3-6,9,11,13-14,21,24H,7-8,10,12H2,1-2H3,(H,25,26)(H,27,28)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324583
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-3-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(F)c1OCCN(C)C |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)8-9-33-23-20(7-6-19(22(23)25)17-13-27-28-14-17)29-24(31)21-11-16-10-18(32-3)5-4-15(16)12-26-21/h4-7,10,13-14,21,26H,8-9,11-12H2,1-3H3,(H,27,28)(H,29,31)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324582
PNG
((R)-2-(Cyclopropylmethyl)-N-(2-(2-(dimethylamino)e...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1CC1CC1 |r|
Show InChI InChI=1S/C27H32FN5O2/c1-32(2)9-10-35-26-12-22(21-14-29-30-15-21)23(28)13-24(26)31-27(34)25-11-19-5-3-4-6-20(19)17-33(25)16-18-7-8-18/h3-6,12-15,18,25H,7-11,16-17H2,1-2H3,(H,29,30)(H,31,34)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 29n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324580
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2ccccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H27N5O2/c1-28(2)9-10-30-22-12-17(19-14-25-26-15-19)7-8-20(22)27-23(29)21-11-16-5-3-4-6-18(16)13-24-21/h3-8,12,14-15,21,24H,9-11,13H2,1-2H3,(H,25,26)(H,27,29)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324581
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2ccccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H27N5O2/c1-28(2)9-10-30-22-12-17(19-14-25-26-15-19)7-8-20(22)27-23(29)21-11-16-5-3-4-6-18(16)13-24-21/h3-8,12,14-15,21,24H,9-11,13H2,1-2H3,(H,25,26)(H,27,29)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324579
PNG
((R)-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CCN1Cc2ccc(OC)cc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C26H32FN5O3/c1-5-32-16-17-6-7-20(34-4)10-18(17)11-24(32)26(33)30-23-13-22(27)21(19-14-28-29-15-19)12-25(23)35-9-8-31(2)3/h6-7,10,12-15,24H,5,8-9,11,16H2,1-4H3,(H,28,29)(H,30,33)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 32n/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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50324578
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324577
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 41n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324576
PNG
((R)-N-(2-(2-Hydroxyethoxy)-4-(1H-pyrazol-4-yl)phen...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCO)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-29-18-4-2-15-11-23-20(9-16(15)8-18)22(28)26-19-5-3-14(17-12-24-25-13-17)10-21(19)30-7-6-27/h2-5,8,10,12-13,20,23,27H,6-7,9,11H2,1H3,(H,24,25)(H,26,28)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 42n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50324575
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324575
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 51n/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
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324573
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324572
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(F)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 59n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324603
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C |r|
Show InChI InChI=1S/C24H28FN5O2/c1-29(2)8-9-32-23-11-19(18-13-26-27-14-18)20(25)12-21(23)28-24(31)22-10-16-6-4-5-7-17(16)15-30(22)3/h4-7,11-14,22H,8-10,15H2,1-3H3,(H,26,27)(H,28,31)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 70n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324601
PNG
((R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(3-methyl-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C25H31N5O2S/c1-16-21(15-27-29-16)17-6-8-22(24(13-17)33-10-9-30(2)3)28-25(31)23-12-19-11-20(32-4)7-5-18(19)14-26-23/h5-8,11,13,15,23,26H,9-10,12,14H2,1-4H3,(H,27,29)(H,28,31)/t23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 74n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324587
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324600
PNG
(CHEMBL1215238 | rac-N-(2-(2-(Dimethylamino)ethoxy)...)
Show SMILES CCOc1ccc2CNC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C25H31N5O3/c1-4-32-21-7-5-18-14-26-23(12-19(18)11-21)25(31)29-22-8-6-17(20-15-27-28-16-20)13-24(22)33-10-9-30(2)3/h5-8,11,13,15-16,23,26H,4,9-10,12,14H2,1-3H3,(H,27,28)(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 156n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324586
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-6-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1c(F)cc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)6-7-33-22-11-17(18-13-27-28-14-18)9-20(25)23(22)29-24(31)21-10-16-8-19(32-3)5-4-15(16)12-26-21/h4-5,8-9,11,13-14,21,26H,6-7,10,12H2,1-3H3,(H,27,28)(H,29,31)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324599
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)-2-(2-(pyrrolidin-1-yl)e...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C26H31N5O3/c1-33-22-6-4-19-15-27-24(13-20(19)12-22)26(32)30-23-7-5-18(21-16-28-29-17-21)14-25(23)34-11-10-31-8-2-3-9-31/h4-7,12,14,16-17,24,27H,2-3,8-11,13,15H2,1H3,(H,28,29)(H,30,32)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 218n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324583
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-3-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(F)c1OCCN(C)C |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)8-9-33-23-20(7-6-19(22(23)25)17-13-27-28-14-17)29-24(31)21-11-16-10-18(32-3)5-4-15(16)12-26-21/h4-7,10,13-14,21,26H,8-9,11-12H2,1-3H3,(H,27,28)(H,29,31)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324598
PNG
((R)-N-(2-(2-(Dimethylamino)ethylthio)-4-(1H-pyrazo...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O2S/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 260n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324597
PNG
(CHEMBL1215239 | rac-N-(2-(2-(Dimethylamino)ethoxy)...)
Show SMILES COc1cccc2CC(NCc12)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
Show InChI InChI=1S/C24H29N5O3/c1-29(2)9-10-32-23-12-16(18-13-26-27-14-18)7-8-20(23)28-24(30)21-11-17-5-4-6-22(31-3)19(17)15-25-21/h4-8,12-14,21,25H,9-11,15H2,1-3H3,(H,26,27)(H,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 261n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324596
PNG
((S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(F)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 290n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324588
PNG
(2-Amino-2-(4-chlorophenyl)-N-(2-(2-(dimethylamino)...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)9-10-29-19-11-15(16-12-24-25-13-16)5-8-18(19)26-21(28)20(23)14-3-6-17(22)7-4-14/h3-8,11-13,20H,9-10,23H2,1-2H3,(H,24,25)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50324578
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 333n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324595
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-6-methoxy-1,2,3,...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C20H20N4O2/c1-26-18-7-4-14-10-21-19(9-15(14)8-18)20(25)24-17-5-2-13(3-6-17)16-11-22-23-12-16/h2-8,11-12,19,21H,9-10H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 334n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324584
PNG
((R)-6-Methoxy-N-(2-(2-methoxyethoxy)-4-(1H-pyrazol...)
Show SMILES COCCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(OC)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26N4O4/c1-29-7-8-31-22-11-15(18-13-25-26-14-18)4-6-20(22)27-23(28)21-10-17-9-19(30-2)5-3-16(17)12-24-21/h3-6,9,11,13-14,21,24H,7-8,10,12H2,1-2H3,(H,25,26)(H,27,28)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 339n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324589
PNG
(CHEMBL1215091 | N-(2-(2-(Dimethylamino)ethoxy)-4-(...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1NCCc2ccccc12)-c1cn[nH]c1
Show InChI InChI=1S/C23H27N5O2/c1-28(2)11-12-30-21-13-17(18-14-25-26-15-18)7-8-20(21)27-23(29)22-19-6-4-3-5-16(19)9-10-24-22/h3-8,13-15,22,24H,9-12H2,1-2H3,(H,25,26)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 371n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 669n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324594
PNG
((R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-flu...)
Show SMILES N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C18H17FN4O/c19-15-3-1-2-12(8-15)9-17(20)18(24)23-16-6-4-13(5-7-16)14-10-21-22-11-14/h1-8,10-11,17H,9,20H2,(H,21,22)(H,23,24)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 713n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324593
PNG
((R)-2-(2-(dimethylamino)acetyl)-N-(2-(2-(dimethyla...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)C |r|
Show InChI InChI=1S/C27H33FN6O3/c1-32(2)9-10-37-25-12-21(20-14-29-30-15-20)22(28)13-23(25)31-27(36)24-11-18-7-5-6-8-19(18)16-34(24)26(35)17-33(3)4/h5-8,12-15,24H,9-11,16-17H2,1-4H3,(H,29,30)(H,31,36)/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 775n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 810n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324591
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2C[C@@H](NCc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-17(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-16-4-6-20(31-3)10-18(16)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/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
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324572
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(F)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 868n/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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.79E+3n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324589
PNG
(CHEMBL1215091 | N-(2-(2-(Dimethylamino)ethoxy)-4-(...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1NCCc2ccccc12)-c1cn[nH]c1
Show InChI InChI=1S/C23H27N5O2/c1-28(2)11-12-30-21-13-17(18-14-25-26-15-18)7-8-20(21)27-23(29)22-19-6-4-3-5-16(19)9-10-24-22/h3-8,13-15,22,24H,9-12H2,1-2H3,(H,25,26)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.70E+3n/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


J Med Chem 53: 5727-37 (2010)


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


(Homo sapiens (Human))
BDBM50324576
PNG
((R)-N-(2-(2-Hydroxyethoxy)-4-(1H-pyrazol-4-yl)phen...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCO)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C22H24N4O4/c1-29-18-4-2-15-11-23-20(9-16(15)8-18)22(28)26-19-5-3-14(17-12-24-25-13-17)10-21(19)30-7-6-27/h2-5,8,10,12-13,20,23,27H,6-7,9,11H2,1H3,(H,24,25)(H,26,28)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.70E+3n/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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha


(Homo sapiens (Human))
BDBM50324575
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.35E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MRCKalpha


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50324575
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H29N5O3/c1-29(2)8-9-32-23-12-16(19-14-26-27-15-19)5-7-21(23)28-24(30)22-11-18-10-20(31-3)6-4-17(18)13-25-22/h4-7,10,12,14-15,22,25H,8-9,11,13H2,1-3H3,(H,26,27)(H,28,30)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50324578
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...)
Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%