BDBM50130980 CHEMBL310408::{3-[5-Bromo-2-(4-methoxy-benzyloxy)-phenyl]-isoxazol-5-yl}-methanol

SMILES: COc1ccc(COc2ccc(Br)cc2-c2cc(CO)on2)cc1

InChI Key: InChIKey=DGGQRMAFOSNTQZ-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 = 50130980   

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)	BDBM50130980 (CHEMBL310408 | {3-[5-Bromo-2-(4-methoxy-benzyloxy)...) Show SMILES COc1ccc(COc2ccc(Br)cc2-c2cc(CO)on2)cc1 Show InChI InChI=1S/C18H16BrNO4/c1-22-14-5-2-12(3-6-14)11-23-18-7-4-13(19)8-16(18)17-9-15(10-21)24-20-17/h2-9,21H,10-11H2,1H3	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	1.04E+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