BDBM50347727 CHEMBL1802766

SMILES: OC(=O)CCc1cccc(Nc2cnc3ccccc3n2)c1

InChI Key: InChIKey=ZQJUOYPIXFFTJE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50347727   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Transforming protein RhoA (Homo sapiens (Human))	BDBM50347727 (CHEMBL1802766) Show SMILES OC(=O)CCc1cccc(Nc2cnc3ccccc3n2)c1 Show InChI InChI=1S/C17H15N3O2/c21-17(22)9-8-12-4-3-5-13(10-12)19-16-11-18-14-6-1-2-7-15(14)20-16/h1-7,10-11H,8-9H2,(H,19,20)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+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
					More data for this Ligand-Target Pair