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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 = 'BDBM50246455'   
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))
BDBM50246455
PNG
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(pyridin-4-yl)-1...)
Show SMILES C1Oc2ccccc2CC1c1nc2ccc(cc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2n/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))
BDBM50246455
PNG
(2-(3,4-dihydro-2H-chromen-3-yl)-6-(pyridin-4-yl)-1...)
Show SMILES C1Oc2ccccc2CC1c1nc2ccc(cc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C21H17N3O/c1-2-4-20-16(3-1)11-17(13-25-20)21-23-18-6-5-15(12-19(18)24-21)14-7-9-22-10-8-14/h1-10,12,17H,11,13H2,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a<6n/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