Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50308881'   

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))	BDBM50308881 (CHEMBL610775 | rac-3-((3-(3-cyanophenyl)ureido)met...) Show SMILES O=C(NCc1cccc(c1)C(=O)NCC1CCCO1)Nc1cccc(c1)C#N Show InChI InChI=1S/C21H22N4O3/c22-12-15-4-2-7-18(11-15)25-21(27)24-13-16-5-1-6-17(10-16)20(26)23-14-19-8-3-9-28-19/h1-2,4-7,10-11,19H,3,8-9,13-14H2,(H,23,26)(H2,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	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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