Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50309101'   

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))	BDBM50309101 (5-(2-aminopyridin-4-yl)-3-(4-methyl-1,4-diazepan-1...) Show SMILES CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc(N)c1 Show InChI InChI=1S/C15H21N7/c1-21-5-2-6-22(8-7-21)15-14(17)19-10-12(20-15)11-3-4-18-13(16)9-11/h3-4,9-10H,2,5-8H2,1H3,(H2,16,18)(H2,17,19)	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	2.50E+4	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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