BDBM50125717 1-{2,4-Dibromo-5-[3-(4-iodo-phenyl)-ureido]-phenyl}-3-(4-iodo-phenyl)-urea::CHEMBL417253

SMILES: Brc1cc(Br)c(NC(=O)Nc2ccc(I)cc2)cc1NC(=O)Nc1ccc(I)cc1

InChI Key: InChIKey=VISGJSRHPGUBCG-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 = 50125717   

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
Cyclophilin A (Rattus norvegicus)	BDBM50125717 (1-{2,4-Dibromo-5-[3-(4-iodo-phenyl)-ureido]-phenyl...) Show SMILES Brc1cc(Br)c(NC(=O)Nc2ccc(I)cc2)cc1NC(=O)Nc1ccc(I)cc1 Show InChI InChI=1S/C20H14Br2I2N4O2/c21-15-9-16(22)18(28-20(30)26-14-7-3-12(24)4-8-14)10-17(15)27-19(29)25-13-5-1-11(23)2-6-13/h1-10H,(H2,25,27,29)(H2,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)				J Med Chem 46: 1112-5 (2003) Article DOI: 10.1021/jm020409u BindingDB Entry DOI: 10.7270/Q2V1244X
					More data for this Ligand-Target Pair