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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 = 'BDBM50311717'   
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))
BDBM50311717
PNG
(2-(chroman-3-yl)-4-fluoro-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES Fc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14FN3OS/c20-15-6-12(14-8-21-22-9-14)7-17-18(15)23-19(25-17)13-5-11-3-1-2-4-16(11)24-10-13/h1-4,6-9,13H,5,10H2,(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 14n/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))
BDBM50311717
PNG
(2-(chroman-3-yl)-4-fluoro-6-(1H-pyrazol-4-yl)benzo...)
Show SMILES Fc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Show InChI InChI=1S/C19H14FN3OS/c20-15-6-12(14-8-21-22-9-14)7-17-18(15)23-19(25-17)13-5-11-3-1-2-4-16(11)24-10-13/h1-4,6-9,13H,5,10H2,(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>2.70E+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