BDBM50060920 CHEMBL3394771

SMILES: OCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1

InChI Key: InChIKey=LSGGNLNEYGRGJO-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50060920   

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))	BDBM50060920 (CHEMBL3394771) Show SMILES OCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C34H26O7/c35-20-22-4-17-31(30-18-15-28(39)19-32(30)40)33(29(22)16-3-21-1-9-25(36)10-2-21)34(41,23-5-11-26(37)12-6-23)24-7-13-27(38)14-8-24/h1-2,4-15,17-19,35-41H,20H2	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	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate by Lineweaver-Burk plot analysis				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50060920 (CHEMBL3394771) Show SMILES OCc1ccc(-c2ccc(O)cc2O)c(c1C#Cc1ccc(O)cc1)C(O)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C34H26O7/c35-20-22-4-17-31(30-18-15-28(39)19-32(30)40)33(29(22)16-3-21-1-9-25(36)10-2-21)34(41,23-5-11-26(37)12-6-23)24-7-13-27(38)14-8-24/h1-2,4-15,17-19,35-41H,20H2	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	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Catholic University of Daegu Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B using p-nitrophenylphosphate as substrate				J Nat Prod 78: 34-42 (2015) Article DOI: 10.1021/np5005856 BindingDB Entry DOI: 10.7270/Q2TX3H15
					More data for this Ligand-Target Pair