Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50069136'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50069136 (CHEMBL3402460) Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2OCCN2CCCC2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C25H31N5O3/c1-29(18-19-6-5-7-22(14-19)32-2)25(31)28-23-9-8-20(21-16-26-27-17-21)15-24(23)33-13-12-30-10-3-4-11-30/h5-9,14-17H,3-4,10-13,18H2,1-2H3,(H,26,27)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode				Bioorg Med Chem 23: 2505-17 (2015) Article DOI: 10.1016/j.bmc.2015.03.047 BindingDB Entry DOI: 10.7270/Q2ZP47SX
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