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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50311718'   
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))
BDBM50311718
PNG
(2-(chroman-3-yl)-4-methoxy-6-(1H-pyrazol-4-yl)benz...)
Show SMILES COc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3O2S/c1-24-17-7-13(15-9-21-22-10-15)8-18-19(17)23-20(26-18)14-6-12-4-2-3-5-16(12)25-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


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


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


(Homo sapiens (Human))
BDBM50311718
PNG
(2-(chroman-3-yl)-4-methoxy-6-(1H-pyrazol-4-yl)benz...)
Show SMILES COc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C20H17N3O2S/c1-24-17-7-13(15-9-21-22-10-15)8-18-19(17)23-20(26-18)14-6-12-4-2-3-5-16(12)25-11-14/h2-5,7-10,14H,6,11H2,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



Translational Research Institute and Department of Molecular Therapeutics

Curated by ChEMBL


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


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


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