Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50338712'   

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))	BDBM50338712 (3-(4-(2-(dimethylamino)ethylthio)-6-(1H-pyrazol-4-...) Show SMILES COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc(SCCN(C)C)c2cc(ccc2n1)-c1cn[nH]c1 Show InChI InChI=1S/C28H32N6O3S/c1-34(2)9-11-38-28-23-14-18(22-15-30-31-16-22)4-6-24(23)32-26(33-28)21-13-20-12-19(5-7-25(20)37-17-21)27(35)29-8-10-36-3/h4-7,12,14-16,21H,8-11,13,17H2,1-3H3,(H,29,35)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK2 by HTRF assay				Bioorg Med Chem Lett 21: 1844-8 (2011) Article DOI: 10.1016/j.bmcl.2011.01.039 BindingDB Entry DOI: 10.7270/Q20G3KFF
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