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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 = 'BDBM50256227'   
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))
BDBM50256227
PNG
(CHEMBL482310 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N...)
Show SMILES CN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 86n/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))
BDBM50256227
PNG
(CHEMBL482310 | N3-(4-(1H-pyrazol-4-yl)phenyl)-N6,N...)
Show SMILES CN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 500n/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