Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50308880'   

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))	BDBM50308880 (3-((3-(3-cyanophenyl)ureido)methyl)-N-(2-(pyridin-...) Show SMILES O=C(NCc1cccc(c1)C(=O)NCCc1ccncc1)Nc1cccc(c1)C#N Show InChI InChI=1S/C23H21N5O2/c24-15-18-3-2-6-21(14-18)28-23(30)27-16-19-4-1-5-20(13-19)22(29)26-12-9-17-7-10-25-11-8-17/h1-8,10-11,13-14H,9,12,16H2,(H,26,29)(H2,27,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.50E+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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