Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50462715'   

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))	BDBM50462715 (CHEMBL4241689) Show SMILES CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3ccncc3)c2)CC1 Show InChI InChI=1S/C23H27N5O2S/c1-27-9-11-28(12-10-27)13-14-30-20-4-2-3-18(15-20)16-22(29)26-23-25-21(17-31-23)19-5-7-24-8-6-19/h2-8,15,17H,9-14,16H2,1H3,(H,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of ROCK1 (6 to 553 residues) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate by pyruvate kinase-lactate dehydrogen...				Bioorg Med Chem Lett 28: 2616-2621 (2018) Article DOI: 10.1016/j.bmcl.2018.06.043 BindingDB Entry DOI: 10.7270/Q2XP77MH
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