BDBM50127131 CHEMBL3628539

SMILES: COC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1

InChI Key: InChIKey=DRIJJCVJOXETFS-TWKHWXDSSA-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 = 50127131   

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))	BDBM50127131 (CHEMBL3628539) Show SMILES COC(=O)c1ccc(CN2C(=O)N(Cc3ccccc3)\C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 Show InChI InChI=1S/C33H28N2O5/c1-39-32(37)28-16-12-26(13-17-28)22-35-31(36)30(34(33(35)38)21-25-8-4-2-5-9-25)20-24-14-18-29(19-15-24)40-23-27-10-6-3-7-11-27/h2-20H,21-23H2,1H3/b30-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli pre-incubated for 15 mins before pNPP substrate addition by spectrophotometry				Eur J Med Chem 103: 91-104 (2015) BindingDB Entry DOI: 10.7270/Q2PK0HZF
					More data for this Ligand-Target Pair