BDBM50443537 CHEMBL3088129

SMILES: COc1cc(ccc1O)[C@H]1Oc2ccc(\C=C\C(O)=O)cc2O[C@@H]1CO

InChI Key: InChIKey=MDAPOPYYLXOSPU-GHAAFOEMSA-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 = 50443537   

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))	BDBM50443537 (CHEMBL3088129) Show SMILES COc1cc(ccc1O)[C@H]1Oc2ccc(\C=C\C(O)=O)cc2O[C@@H]1CO |r| Show InChI InChI=1S/C19H18O7/c1-24-15-9-12(4-5-13(15)21)19-17(10-20)25-16-8-11(3-7-18(22)23)2-6-14(16)26-19/h2-9,17,19-21H,10H2,1H3,(H,22,23)/b7-3+/t17-,19-/m1/s1	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP substrate after 30 mins by spectrophotometry				J Nat Prod 76: 2080-7 (2013) Article DOI: 10.1021/np400533h BindingDB Entry DOI: 10.7270/Q23J3FFD
					More data for this Ligand-Target Pair