Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50436247'   

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))	BDBM50436247 (CHEMBL2398709) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C26H27F6N3O3/c27-25(28,29)20-12-19(13-21(14-20)26(30,31)32)24(37)35-6-2-4-18(16-35)23(36)33-22-5-1-3-17(11-22)15-34-7-9-38-10-8-34/h1,3,5,11-14,18H,2,4,6-10,15-16H2,(H,33,36)	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	3.20E+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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