Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50324578'   

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 1 (Homo sapiens (Human))	BDBM50324578 ((R)-N-(2-(2-(Dimethylamino)ethoxy)-5-fluoro-4-(1H-...) Show SMILES CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r| Show InChI InChI=1S/C23H26FN5O2/c1-29(2)7-8-31-22-10-18(17-13-26-27-14-17)19(24)11-20(22)28-23(30)21-9-15-5-3-4-6-16(15)12-25-21/h3-6,10-11,13-14,21,25H,7-9,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of ROCK1				J Med Chem 53: 5727-37 (2010) Article DOI: 10.1021/jm100579r BindingDB Entry DOI: 10.7270/Q2833S8C
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