Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.3 BDBM50355641

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor-type tyrosine-protein phosphatase gamma (Homo sapiens (Human))	BDBM50355641 (CHEMBL1910968) Show SMILES NCC(=O)Nc1cccc(c1)C#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H18Cl2N2O3S/c25-20-9-7-17(11-21(20)26)14-32-22-12-16(6-8-19(22)24(30)31)5-4-15-2-1-3-18(10-15)28-23(29)13-27/h1-3,6-12H,13-14,27H2,(H,28,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of RPTPgamma expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincub...				J Med Chem 54: 6548-62 (2011) Article DOI: 10.1021/jm2003766 BindingDB Entry DOI: 10.7270/Q2862GTG
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C (Homo sapiens (Human))	BDBM50355641 (CHEMBL1910968) Show SMILES NCC(=O)Nc1cccc(c1)C#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H18Cl2N2O3S/c25-20-9-7-17(11-21(20)26)14-32-22-12-16(6-8-19(22)24(30)31)5-4-15-2-1-3-18(10-15)28-23(29)13-27/h1-3,6-12H,13-14,27H2,(H,28,29)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CD45 expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated ...				J Med Chem 54: 6548-62 (2011) Article DOI: 10.1021/jm2003766 BindingDB Entry DOI: 10.7270/Q2862GTG
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50355641 (CHEMBL1910968) Show SMILES NCC(=O)Nc1cccc(c1)C#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H18Cl2N2O3S/c25-20-9-7-17(11-21(20)26)14-32-22-12-16(6-8-19(22)24(30)31)5-4-15-2-1-3-18(10-15)28-23(29)13-27/h1-3,6-12H,13-14,27H2,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) assessed as reduction in dephosphorylation of Z'-Lyte phospho-Tyr 1 peptide preincubated...				J Med Chem 54: 6548-62 (2011) Article DOI: 10.1021/jm2003766 BindingDB Entry DOI: 10.7270/Q2862GTG
					More data for this Ligand-Target Pair