Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50436228'   

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
Transforming protein RhoA (Homo sapiens (Human))	BDBM50436228 (CHEMBL2398686) Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2cnco2)cc1 Show InChI InChI=1S/C22H20ClN3O3/c23-18-6-8-19(9-7-18)25-21(27)17-5-2-10-26(13-17)22(28)16-4-1-3-15(11-16)20-12-24-14-29-20/h1,3-4,6-9,11-12,14,17H,2,5,10,13H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay				Bioorg Med Chem Lett 23: 3826-32 (2013) Article DOI: 10.1016/j.bmcl.2013.04.080 BindingDB Entry DOI: 10.7270/Q28P61XS
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