Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50347736'   

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))	BDBM50347736 (CHEMBL1802525) Show SMILES OC(=O)\C=C\c1ccc(Nc2nc3ccc(cc3nc2Nc2ccc(\C=C\C(O)=O)cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C26H19N5O6/c32-23(33)13-5-16-1-7-18(8-2-16)27-25-26(28-19-9-3-17(4-10-19)6-14-24(34)35)30-22-15-20(31(36)37)11-12-21(22)29-25/h1-15H,(H,27,29)(H,28,30)(H,32,33)(H,34,35)/b13-5+,14-6+	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	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of rhoA expressed in Escherichia coli BL21 after 1 hr by G-LISA activation based chemiluminiscence assay				J Med Chem 54: 4508-22 (2011) Article DOI: 10.1021/jm200161c BindingDB Entry DOI: 10.7270/Q2C53M61
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