BDBM50182133 3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4,5-dihydroisoxazole::CHEMBL208486

SMILES: COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC

InChI Key: InChIKey=DKHOBSRJLBAKFY-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50182133   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50182133 (3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC |c:11| Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50182133 (3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC |c:11| Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute,					Assay Description The effect of the test compounds on PTP1B was studied by preincubating the test compound with enzyme in the reaction system for 10 min and determinin...				Medicinal Chemistry Research 17: 123-136 (2008) BindingDB Entry DOI: 10.7270/Q2JQ0ZMG
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50182133 (3-(4-methoxybenzofuran-5-yl)-5-(4-methoxyphenyl)-4...) Show SMILES COc1ccc(cc1)C1CC(=NO1)c1ccc2occc2c1OC |c:11| Show InChI InChI=1S/C19H17NO4/c1-21-13-5-3-12(4-6-13)18-11-16(20-24-18)14-7-8-17-15(9-10-23-17)19(14)22-2/h3-10,18H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem Lett 16: 2139-43 (2006) Article DOI: 10.1016/j.bmcl.2006.01.062 BindingDB Entry DOI: 10.7270/Q29K49ST
					More data for this Ligand-Target Pair