BDBM50125710 1-Naphthalen-1-yl-3-[3-(3-naphthalen-1-yl-ureido)-cyclohexyl]-urea::CHEMBL13411

SMILES: O=C(NC1CCCC(C1)NC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12

InChI Key: InChIKey=OURISPMWLZRKMI-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 = 50125710   

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)	BDBM50125710 (1-Naphthalen-1-yl-3-[3-(3-naphthalen-1-yl-ureido)-...) Show SMILES O=C(NC1CCCC(C1)NC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 Show InChI InChI=1S/C28H28N4O2/c33-27(31-25-16-5-10-19-8-1-3-14-23(19)25)29-21-12-7-13-22(18-21)30-28(34)32-26-17-6-11-20-9-2-4-15-24(20)26/h1-6,8-11,14-17,21-22H,7,12-13,18H2,(H2,29,31,33)(H2,30,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.55E+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