Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transforming protein RhoA' and Ligand = 'BDBM50347733'   

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))	BDBM50347733 (CHEMBL1802534) Show SMILES OC(=O)C1CCN(CC1)c1nc2ccc(cc2nc1N1CCC(CC1)C(O)=O)[N+]([O-])=O Show InChI InChI=1S/C20H23N5O6/c26-19(27)12-3-7-23(8-4-12)17-18(24-9-5-13(6-10-24)20(28)29)22-16-11-14(25(30)31)1-2-15(16)21-17/h1-2,11-13H,3-10H2,(H,26,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+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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