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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 = 'BDBM50245914'   
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))
BDBM50245914
PNG
(4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)benzo[d...)
Show SMILES Nc1nccc(n1)-c1ccc2nc(oc2c1)C1COc2ccc(F)cc2C1
Show InChI InChI=1S/C20H15FN4O2/c21-14-2-4-17-12(8-14)7-13(10-26-17)19-24-16-3-1-11(9-18(16)27-19)15-5-6-23-20(22)25-15/h1-6,8-9,13H,7,10H2,(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/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))
BDBM50245914
PNG
(4-(2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)benzo[d...)
Show SMILES Nc1nccc(n1)-c1ccc2nc(oc2c1)C1COc2ccc(F)cc2C1
Show InChI InChI=1S/C20H15FN4O2/c21-14-2-4-17-12(8-14)7-13(10-26-17)19-24-16-3-1-11(9-18(16)27-19)15-5-6-23-20(22)25-15/h1-6,8-9,13H,7,10H2,(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 28n/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