BDBM15806 1:1 racemic mixture::2-{[4-(2-acetamido-2-{[(4-nitrophenyl)methyl]carbamoyl}ethyl)-2-ethylphenyl]amidoformic acid}benzoic acid::oxalyl-aryl-amino benzoic acid-based inhibitor 8a

SMILES: CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(cc2)[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=WHXGPRFBRYTMKY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 15806   

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
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM15806 (1:1 racemic mixture | 2-{[4-(2-acetamido-2-{[(4-ni...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(cc2)[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C29H28N4O9/c1-3-20-14-19(10-13-24(20)32(27(36)29(39)40)25-7-5-4-6-22(25)28(37)38)15-23(31-17(2)34)26(35)30-16-18-8-11-21(12-9-18)33(41)42/h4-14,23H,3,15-16H2,1-2H3,(H,30,35)(H,31,34)(H,37,38)(H,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 13: 1887-90 (2003) Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91
					More data for this Ligand-Target Pair
Protein-Tyrosine Phosphatase 1B (PTP1B) (Homo sapiens (Human))	BDBM15806 (1:1 racemic mixture | 2-{[4-(2-acetamido-2-{[(4-ni...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(cc2)[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C29H28N4O9/c1-3-20-14-19(10-13-24(20)32(27(36)29(39)40)25-7-5-4-6-22(25)28(37)38)15-23(31-17(2)34)26(35)30-16-18-8-11-21(12-9-18)33(41)42/h4-14,23H,3,15-16H2,1-2H3,(H,30,35)(H,31,34)(H,37,38)(H,39,40)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	540	-8.46	n/a	n/a	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...				Bioorg Med Chem Lett 13: 1887-90 (2003) Article DOI: 10.1016/S0960-894X(03)00302-0 BindingDB Entry DOI: 10.7270/Q29S1P91
					More data for this Ligand-Target Pair