BDBM50436243 CHEMBL2398670

SMILES: Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2ccc(cc2)-c2ccco2)cc1

InChI Key: InChIKey=IJYLNGSGWCJSNT-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 = 50436243   

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))	BDBM50436243 (CHEMBL2398670) Show SMILES Clc1ccc(NC(=O)C2CCCN(C2)C(=O)c2ccc(cc2)-c2ccco2)cc1 Show InChI InChI=1S/C23H21ClN2O3/c24-19-9-11-20(12-10-19)25-22(27)18-3-1-13-26(15-18)23(28)17-7-5-16(6-8-17)21-4-2-14-29-21/h2,4-12,14,18H,1,3,13,15H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	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
					More data for this Ligand-Target Pair