Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50436233'   

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))	BDBM50436233 (CHEMBL2398681) Show SMILES CC(C)(C)CC(=O)Nc1cccc(c1)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H30ClN3O3/c1-25(2,3)15-22(30)27-21-8-4-6-17(14-21)24(32)29-13-5-7-18(16-29)23(31)28-20-11-9-19(26)10-12-20/h4,6,8-12,14,18H,5,7,13,15-16H2,1-3H3,(H,27,30)(H,28,31)	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	2.60E+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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