Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50308892'   

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))	BDBM50308892 (CHEMBL589844 | N-{3-[3-(4-Cyano-phenyl)-ureidometh...) Show SMILES O=C(CCC1CCCNC1)Nc1cccc(CNC(=O)Nc2ccc(cc2)C#N)c1 Show InChI InChI=1S/C23H27N5O2/c24-14-17-6-9-20(10-7-17)28-23(30)26-16-19-3-1-5-21(13-19)27-22(29)11-8-18-4-2-12-25-15-18/h1,3,5-7,9-10,13,18,25H,2,4,8,11-12,15-16H2,(H,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human ROCK2 by IMAP assay				J Med Chem 53: 759-77 (2010) Article DOI: 10.1021/jm9014263 BindingDB Entry DOI: 10.7270/Q2V125RD
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