BDBM50118768 2-(carboxyformamido)-3-methylbenzoic acid::3-Methyl-2-(oxalyl-amino)-benzoic acid::CHEMBL138713

SMILES: Cc1cccc(C(O)=O)c1NC(=O)C(O)=O

InChI Key: InChIKey=XBWCWEUFICGBSE-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50118768   

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))	BDBM50118768 (2-(carboxyformamido)-3-methylbenzoic acid | 3-Meth...) Show SMILES Cc1cccc(C(O)=O)c1NC(=O)C(O)=O Show InChI InChI=1S/C10H9NO5/c1-5-3-2-4-6(9(13)14)7(5)11-8(12)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against recombinant human PTP1B (Protein Tyrosine phosphatase 1B) using p-nitrophenyl phosphate substrate at pH 5.5				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118768 (2-(carboxyformamido)-3-methylbenzoic acid | 3-Meth...) Show SMILES Cc1cccc(C(O)=O)c1NC(=O)C(O)=O Show InChI InChI=1S/C10H9NO5/c1-5-3-2-4-6(9(13)14)7(5)11-8(12)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.26E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Binding affinity to human recombinant PTP1B				Bioorg Med Chem Lett 20: 3329-37 (2010) Article DOI: 10.1016/j.bmcl.2010.04.033 BindingDB Entry DOI: 10.7270/Q27D2WCC
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase alpha (Homo sapiens (Human))	BDBM50118768 (2-(carboxyformamido)-3-methylbenzoic acid | 3-Meth...) Show SMILES Cc1cccc(C(O)=O)c1NC(=O)C(O)=O Show InChI InChI=1S/C10H9NO5/c1-5-3-2-4-6(9(13)14)7(5)11-8(12)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against human protein-tyrosine phosphatase alpha (PTPalpha), using p-nitrophenyl phosphate substrate at pH 5.5.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM50118768 (2-(carboxyformamido)-3-methylbenzoic acid | 3-Meth...) Show SMILES Cc1cccc(C(O)=O)c1NC(=O)C(O)=O Show InChI InChI=1S/C10H9NO5/c1-5-3-2-4-6(9(13)14)7(5)11-8(12)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory effect against protein-tyrosine phosphatase Lar, using p-nitrophenyl phosphate as substrate at pH 5.5.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50118768 (2-(carboxyformamido)-3-methylbenzoic acid | 3-Meth...) Show SMILES Cc1cccc(C(O)=O)c1NC(=O)C(O)=O Show InChI InChI=1S/C10H9NO5/c1-5-3-2-4-6(9(13)14)7(5)11-8(12)10(15)16/h2-4H,1H3,(H,11,12)(H,13,14)(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10E+11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graduate University of Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to PTP1B				Bioorg Med Chem Lett 15: 5521-5 (2005) Article DOI: 10.1016/j.bmcl.2005.08.078 BindingDB Entry DOI: 10.7270/Q2TF0139
					More data for this Ligand-Target Pair				3D Structure (docked)