BDBM50256822 CHEMBL4102541

SMILES: CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1

InChI Key: InChIKey=BSCXEBXTROAYBW-NBHCHVEOSA-N

Data: 3 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 3 hits for monomerid = 50256822   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50256822 (CHEMBL4102541) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1 Show InChI InChI=1S/C43H43NO10S2/c1-4-32-8-21-40(22-9-32)54-41-23-15-37(16-24-41)44-43(45)42-29-35(30-50-38-17-10-33(11-18-38)25-27-55(46,47)52-5-2)7-14-36(42)31-51-39-19-12-34(13-20-39)26-28-56(48,49)53-6-3/h7-29H,4-6,30-31H2,1-3H3,(H,44,45)/b27-25+,28-26+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute Curated by ChEMBL					Assay Description Inhibition of recombinant SHP2 (unknown origin) using pNPP as substrate measured after 30 mins				Bioorg Med Chem Lett 27: 2166-2170 (2017) Article DOI: 10.1016/j.bmcl.2017.03.060 BindingDB Entry DOI: 10.7270/Q2FR0024
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50256822 (CHEMBL4102541) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1 Show InChI InChI=1S/C43H43NO10S2/c1-4-32-8-21-40(22-9-32)54-41-23-15-37(16-24-41)44-43(45)42-29-35(30-50-38-17-10-33(11-18-38)25-27-55(46,47)52-5-2)7-14-36(42)31-51-39-19-12-34(13-20-39)26-28-56(48,49)53-6-3/h7-29H,4-6,30-31H2,1-3H3,(H,44,45)/b27-25+,28-26+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute Curated by ChEMBL					Assay Description Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins				Bioorg Med Chem Lett 27: 2166-2170 (2017) Article DOI: 10.1016/j.bmcl.2017.03.060 BindingDB Entry DOI: 10.7270/Q2FR0024
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50256822 (CHEMBL4102541) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCc2ccc(COc3ccc(\C=C\S(=O)(=O)OCC)cc3)c(c2)C(=O)Nc2ccc(Oc3ccc(CC)cc3)cc2)cc1 Show InChI InChI=1S/C43H43NO10S2/c1-4-32-8-21-40(22-9-32)54-41-23-15-37(16-24-41)44-43(45)42-29-35(30-50-38-17-10-33(11-18-38)25-27-55(46,47)52-5-2)7-14-36(42)31-51-39-19-12-34(13-20-39)26-28-56(48,49)53-6-3/h7-29H,4-6,30-31H2,1-3H3,(H,44,45)/b27-25+,28-26+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, PR China; China State Institute of Pharmaceutical Industry, Novel Technology Center of Pharmaceutical Chemistry, Shanghai Institute Curated by ChEMBL					Assay Description Inhibition of recombinant TCPTP (unknown origin) using pNPP as substrate measured after 30 mins				Bioorg Med Chem Lett 27: 2166-2170 (2017) Article DOI: 10.1016/j.bmcl.2017.03.060 BindingDB Entry DOI: 10.7270/Q2FR0024
					More data for this Ligand-Target Pair