BDBM50212390 CHEMBL389736::abyssinin I

SMILES: COc1cc(cc2C=CC(C)(C)Oc12)C1CC(=O)c2c(O)cc(O)cc2O1

InChI Key: InChIKey=SDUMAACMVUGGAC-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 = 50212390   

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))	BDBM50212390 (CHEMBL389736 | abyssinin I) Show SMILES COc1cc(cc2C=CC(C)(C)Oc12)C1CC(=O)c2c(O)cc(O)cc2O1 |c:7| Show InChI InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-18(25-3)20(11)27-21)16-10-15(24)19-14(23)8-13(22)9-17(19)26-16/h4-9,16,22-23H,10H2,1-3H3	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	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B				J Nat Prod 70: 1039-42 (2007) Article DOI: 10.1021/np060477+ BindingDB Entry DOI: 10.7270/Q2KH0P5K
					More data for this Ligand-Target Pair