BDBM50347732 CHEMBL1802764

SMILES: C1COc2cc(Nc3cnc4ccccc4n3)ccc2O1

InChI Key: InChIKey=HTNFMOMJQUPBLJ-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 = 50347732   

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))	BDBM50347732 (CHEMBL1802764) Show SMILES C1COc2cc(Nc3cnc4ccccc4n3)ccc2O1 Show InChI InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)17-10-16(19-13)18-11-5-6-14-15(9-11)21-8-7-20-14/h1-6,9-10H,7-8H2,(H,18,19)	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	3.00E+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