BDBM50177320 2-(4-(7-(3-methoxybenzoyl)cyclopenta[d][1,2]oxazin-4-yl)phenoxy)acetic acid::CHEMBL371322

SMILES: COc1cccc(c1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1

InChI Key: InChIKey=UEICUKQIEGINLM-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 = 50177320   

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))	BDBM50177320 (2-(4-(7-(3-methoxybenzoyl)cyclopenta[d][1,2]oxazin...) Show SMILES COc1cccc(c1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H17NO6/c1-28-17-4-2-3-15(11-17)23(27)19-10-9-18-20(19)12-30-24-22(18)14-5-7-16(8-6-14)29-13-21(25)26/h2-12H,13H2,1H3,(H,25,26)	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	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human PTP1B				Bioorg Med Chem Lett 16: 499-502 (2005) Article DOI: 10.1016/j.bmcl.2005.10.062 BindingDB Entry DOI: 10.7270/Q2319VFG
					More data for this Ligand-Target Pair