BDBM50125707 1-Isoxazol-3-yl-3-[3-(3-isoxazol-3-yl-ureido)-phenyl]-urea::CHEMBL13611

SMILES: O=C(Nc1ccon1)Nc1cccc(NC(=O)Nc2ccon2)c1

InChI Key: InChIKey=JQGIQOQDUCKAKF-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 = 50125707   

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)	BDBM50125707 (1-Isoxazol-3-yl-3-[3-(3-isoxazol-3-yl-ureido)-phen...) Show SMILES O=C(Nc1ccon1)Nc1cccc(NC(=O)Nc2ccon2)c1 Show InChI InChI=1S/C14H12N6O4/c21-13(17-11-4-6-23-19-11)15-9-2-1-3-10(8-9)16-14(22)18-12-5-7-24-20-12/h1-8H,(H2,15,17,19,21)(H2,16,18,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+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