Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50308859'   

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))	BDBM50308859 (3-[3-(3-Chloro-4-cyano-phenyl)-ureidomethyl]-N-(3-...) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1 Show InChI InChI=1S/C25H24ClN5O2/c1-31(2)16-17-6-9-21(10-7-17)29-24(32)19-5-3-4-18(12-19)15-28-25(33)30-22-11-8-20(14-27)23(26)13-22/h3-13H,15-16H2,1-2H3,(H,29,32)(H2,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50308859 (3-[3-(3-Chloro-4-cyano-phenyl)-ureidomethyl]-N-(3-...) Show SMILES CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1 Show InChI InChI=1S/C25H24ClN5O2/c1-31(2)16-17-6-9-21(10-7-17)29-24(32)19-5-3-4-18(12-19)15-28-25(33)30-22-11-8-20(14-27)23(26)13-22/h3-13H,15-16H2,1-2H3,(H,29,32)(H2,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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
					More data for this Ligand-Target Pair