Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50069135'   

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))	BDBM50069135 (CHEMBL3402459) Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2OCCN(C)C)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H29N5O3/c1-27(2)10-11-31-22-13-18(19-14-24-25-15-19)8-9-21(22)26-23(29)28(3)16-17-6-5-7-20(12-17)30-4/h5-9,12-15H,10-11,16H2,1-4H3,(H,24,25)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode				Bioorg Med Chem 23: 2505-17 (2015) Article DOI: 10.1016/j.bmc.2015.03.047 BindingDB Entry DOI: 10.7270/Q2ZP47SX
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