BDBM50069689 CHEMBL3402550

SMILES: CCOC1C(Oc2c1c(OC)ccc2C(=O)\C=C\c1ccc(O)cc1)C(C)(C)O

InChI Key: InChIKey=MTFSPOOVZVACDU-XYOKQWHBSA-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 = 50069689   

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))	BDBM50069689 (CHEMBL3402550) Show SMILES CCOC1C(Oc2c1c(OC)ccc2C(=O)\C=C\c1ccc(O)cc1)C(C)(C)O Show InChI InChI=1S/C23H26O6/c1-5-28-21-19-18(27-4)13-11-16(20(19)29-22(21)23(2,3)26)17(25)12-8-14-6-9-15(24)10-7-14/h6-13,21-22,24,26H,5H2,1-4H3/b12-8+	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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assay				Bioorg Med Chem Lett 25: 2028-32 (2015) Article DOI: 10.1016/j.bmcl.2015.04.003 BindingDB Entry DOI: 10.7270/Q2XP76M3
					More data for this Ligand-Target Pair