BDBM50130992 CHEMBL83374::{3-[2-(3-Methoxy-benzyloxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-methanol

SMILES: COc1cccc(COc2ccccc2C2=NOC(CO)C2)c1

InChI Key: InChIKey=ZGFBGKQJSQJGBG-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 = 50130992   

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)	BDBM50130992 (CHEMBL83374 | {3-[2-(3-Methoxy-benzyloxy)-phenyl]-...) Show SMILES COc1cccc(COc2ccccc2C2=NOC(CO)C2)c1 |t:16| Show InChI InChI=1S/C18H19NO4/c1-21-14-6-4-5-13(9-14)12-22-18-8-3-2-7-16(18)17-10-15(11-20)23-19-17/h2-9,15,20H,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	1.15E+5	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