Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50097161'   

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))	BDBM50097161 (CHEMBL3581142) Show SMILES COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(c2)N(C)C)c1 Show InChI InChI=1S/C19H20N4O2S/c1-23(2)17-11-14(7-8-20-17)16-12-26-19(21-16)22-18(24)10-13-5-4-6-15(9-13)25-3/h4-9,11-12H,10H2,1-3H3,(H,21,22,24)	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	>2.50E+3	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 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed ...				J Med Chem 58: 5028-37 (2015) Article DOI: 10.1021/acs.jmedchem.5b00424 BindingDB Entry DOI: 10.7270/Q2930VXW
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