Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50431148'   

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))	BDBM50431148 (CHEMBL2332096) Show SMILES COc1cccc(CNC(=O)N(CCCN(C)C)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H29N5O2/c1-27(2)12-5-13-28(21-10-8-19(9-11-21)20-16-25-26-17-20)23(29)24-15-18-6-4-7-22(14-18)30-3/h4,6-11,14,16-17H,5,12-13,15H2,1-3H3,(H,24,29)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay				J Med Chem 56: 3568-81 (2013) Article DOI: 10.1021/jm400062r BindingDB Entry DOI: 10.7270/Q28C9XMJ
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