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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50256322'   
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))
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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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


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


Bioorg Med Chem 27: 1382-1390 (2019)


Article DOI: 10.1016/j.bmc.2019.02.047
BindingDB Entry DOI: 10.7270/Q2V40ZQR
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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Article
PubMed
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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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
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