Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50436239'   

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))	BDBM50436239 (CHEMBL2398674) Show SMILES CSc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)c1 Show InChI InChI=1S/C24H24N2O3S/c1-30-21-10-3-9-20(15-21)25-23(27)19-8-4-12-26(16-19)24(28)18-7-2-6-17(14-18)22-11-5-13-29-22/h2-3,5-7,9-11,13-15,19H,4,8,12,16H2,1H3,(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	1.00E+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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