BDBM50125726 1-(3-Methoxy-phenyl)-3-{3-[3-(3-methoxy-phenyl)-ureido]-cyclohexyl}-urea::CHEMBL429034

SMILES: COc1cccc(NC(=O)NC2CCCC(C2)NC(=O)Nc2cccc(OC)c2)c1

InChI Key: InChIKey=FNTAEIPCZBYVBU-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 = 50125726   

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)	BDBM50125726 (1-(3-Methoxy-phenyl)-3-{3-[3-(3-methoxy-phenyl)-ur...) Show SMILES COc1cccc(NC(=O)NC2CCCC(C2)NC(=O)Nc2cccc(OC)c2)c1 Show InChI InChI=1S/C22H28N4O4/c1-29-19-10-4-8-17(13-19)25-21(27)23-15-6-3-7-16(12-15)24-22(28)26-18-9-5-11-20(14-18)30-2/h4-5,8-11,13-16H,3,6-7,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	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