BDBM50130987 5-Chloromethyl-3-[2-(4-methoxy-benzyloxy)-phenyl]-4,5-dihydro-isoxazole::CHEMBL81938

SMILES: COc1ccc(COc2ccccc2C2=NOC(CCl)C2)cc1

InChI Key: InChIKey=VKCBXAWKAWNCPW-UHFFFAOYSA-N

Data: 1 Kd

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 = 50130987   

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
Cystic fibrosis transmembrane conductance regulator (Rattus norvegicus)	BDBM50130987 (5-Chloromethyl-3-[2-(4-methoxy-benzyloxy)-phenyl]-...) Show SMILES COc1ccc(COc2ccccc2C2=NOC(CCl)C2)cc1 |t:15| Show InChI InChI=1S/C18H18ClNO3/c1-21-14-8-6-13(7-9-14)12-22-18-5-3-2-4-16(18)17-10-15(11-19)23-20-17/h2-9,15H,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined				Bioorg Med Chem Lett 13: 2509-12 (2003) BindingDB Entry DOI: 10.7270/Q27D2TJS
					More data for this Ligand-Target Pair