BDBM50133279 5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic acid::5-(3-butyramidophenyl)isoxazole-3-carboxylic acid::CHEMBL333158

SMILES: CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O

InChI Key: InChIKey=CGVGVKRVKLCQOD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50133279   

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))	BDBM50133279 (5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...) Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)	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	1.26E+5	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50133279 (5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...) Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)	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	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against protein tyrosine phosphatase PTB1B				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50133279 (5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...) Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)	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	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Binding affinity for Protein-tyrosine phosphatase 1B				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase alpha (Homo sapiens (Human))	BDBM50133279 (5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...) Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory constant of compound against T cell protein tyrosine phosphatase was determined				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair