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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50519684'   
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))		BDBM50519684
PNG
(CHEMBL4453948)
Show SMILES O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C25H17N3O5/c26-14-16-4-6-17(7-5-16)25(31)28-19-3-1-2-18(12-19)27-24(30)15-33-20-8-9-21-22(29)10-11-32-23(21)13-20/h1-13H,15H2,(H,27,30)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...

J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair