BDBM13958 2-[(7-Hydroxynaphthalen-1-yl)oxalylamino]benzoic Acid::2-[(7-hydroxynaphthalen-1-yl)amidoformic acid]benzoic acid::Oxalylarylaminobenzoic Acid Analog 8b

SMILES: OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccc(O)cc12

InChI Key: InChIKey=IGOULVZYQKJJKC-UHFFFAOYSA-N

Data: 2 KI  1 Kd

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 13958   

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 (PTP1B) (Homo sapiens (Human))	BDBM13958 (2-[(7-Hydroxynaphthalen-1-yl)oxalylamino]benzoic A...) Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccc(O)cc12 Show InChI InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	1.70E+4	-6.44	n/a	8.00E+3	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...				J Med Chem 46: 2093-103 (2003) Article DOI: 10.1021/jm0205696 BindingDB Entry DOI: 10.7270/Q26H4FPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM13958 (2-[(7-Hydroxynaphthalen-1-yl)oxalylamino]benzoic A...) Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccc(O)cc12 Show InChI InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PTP1B				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair				3D Structure (crystal)