BDBM50125722 1-Naphthalen-1-ylmethyl-3-[3-(3-naphthalen-1-ylmethyl-ureido)-phenyl]-urea::CHEMBL13317

SMILES: O=C(NCc1cccc2ccccc12)Nc1cccc(NC(=O)NCc2cccc3ccccc23)c1

InChI Key: InChIKey=GOPCYFIURGKXJJ-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 = 50125722   

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)	BDBM50125722 (1-Naphthalen-1-ylmethyl-3-[3-(3-naphthalen-1-ylmet...) Show SMILES O=C(NCc1cccc2ccccc12)Nc1cccc(NC(=O)NCc2cccc3ccccc23)c1 Show InChI InChI=1S/C30H26N4O2/c35-29(31-19-23-12-5-10-21-8-1-3-16-27(21)23)33-25-14-7-15-26(18-25)34-30(36)32-20-24-13-6-11-22-9-2-4-17-28(22)24/h1-18H,19-20H2,(H2,31,33,35)(H2,32,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.92E+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