Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50308887'   

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))	BDBM50308887 (1,3-Benzodioxole-5-carboxylic acid 3-(2-pyridin-4-...) Show SMILES O=C(NCCc1ccncc1)c1cccc(CNC(=O)c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C23H21N3O4/c27-22(25-11-8-16-6-9-24-10-7-16)18-3-1-2-17(12-18)14-26-23(28)19-4-5-20-21(13-19)30-15-29-20/h1-7,9-10,12-13H,8,11,14-15H2,(H,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.00E+6	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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