Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50309119'   

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))	BDBM50309119 (CHEMBL591047 | N-methyl-1-(6-(pyridin-4-yl)-3-(pyr...) Show SMILES CNC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1 Show InChI InChI=1S/C19H26N6/c1-20-16-6-12-25(13-7-16)19-18(24-10-2-3-11-24)22-14-17(23-19)15-4-8-21-9-5-15/h4-5,8-9,14,16,20H,2-3,6-7,10-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of human recombinant ROCK1				Bioorg Med Chem Lett 20: 1137-40 (2010) Article DOI: 10.1016/j.bmcl.2009.12.012 BindingDB Entry DOI: 10.7270/Q2QR4X7J
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