Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM50235400'   

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))	BDBM50235400 (CHEMBL4093545) Show SMILES O=C(CNC(=O)c1ccc(cc1)-c1cnccc1OCC1CCNCC1)Nc1ccccc1 Show InChI InChI=1S/C26H28N4O3/c31-25(30-22-4-2-1-3-5-22)17-29-26(32)21-8-6-20(7-9-21)23-16-28-15-12-24(23)33-18-19-10-13-27-14-11-19/h1-9,12,15-16,19,27H,10-11,13-14,17-18H2,(H,29,32)(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	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ROCK2 (unknown origin)				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
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