BDBM50379833 CHEMBL2011707

SMILES: COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O

InChI Key: InChIKey=WLTNOSAYEPRSSW-QNQJOHRQSA-N

Data: 4 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 4 hits for monomerid = 50379833   

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
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50379833 (CHEMBL2011707) Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50379833 (CHEMBL2011707) Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50379833 (CHEMBL2011707) Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50379833 (CHEMBL2011707) Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-	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	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
					More data for this Ligand-Target Pair