BDBM15815 1:1 mixture of diastereomers::2-[(4-{2-[(4-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}butyl)carbamoyl]-2-acetamidoethyl}-2-ethylphenyl)amidoformic acid]benzoic acid::oxalyl-aryl-amino benzoic acid-based inhibitor 15

SMILES: CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=OFEGIUHAMIWNEU-NQCNTLBGSA-N

Data: 3 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 3 hits for monomerid = 15815   

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))	BDBM15815 (1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H39N5O11/c1-3-20-16-19(11-13-24(20)37(29(42)32(47)48)25-9-5-4-8-21(25)30(43)44)17-23(35-18(2)38)28(41)34-15-7-6-10-27(40)36-22(31(45)46)12-14-26(33)39/h4-5,8-9,11,13,16,22-23H,3,6-7,10,12,14-15,17H2,1-2H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,40)(H,43,44)(H,45,46)(H,47,48)/t22-,23?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	200	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 (docked)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM15815 (1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H39N5O11/c1-3-20-16-19(11-13-24(20)37(29(42)32(47)48)25-9-5-4-8-21(25)30(43)44)17-23(35-18(2)38)28(41)34-15-7-6-10-27(40)36-22(31(45)46)12-14-26(33)39/h4-5,8-9,11,13,16,22-23H,3,6-7,10,12,14-15,17H2,1-2H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,40)(H,43,44)(H,45,46)(H,47,48)/t22-,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	270	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))	BDBM15815 (1:1 mixture of diastereomers | 2-[(4-{2-[(4-{[(1S)...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r| Show InChI InChI=1S/C32H39N5O11/c1-3-20-16-19(11-13-24(20)37(29(42)32(47)48)25-9-5-4-8-21(25)30(43)44)17-23(35-18(2)38)28(41)34-15-7-6-10-27(40)36-22(31(45)46)12-14-26(33)39/h4-5,8-9,11,13,16,22-23H,3,6-7,10,12,14-15,17H2,1-2H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,40)(H,43,44)(H,45,46)(H,47,48)/t22-,23?/m0/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	330	-8.75	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				3D Structure (docked)