BDBM50131548 4-[4-(2-Acetylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-3-ethyl-phenyl}-propionylamino)-butoxy]-2-hydroxy-biphenyl-3-carboxylic acid methyl ester::CHEMBL326829

SMILES: CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccc(c(O)c2C(=O)OC)-c2ccccc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=MATPDXBXMLXXPY-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 = 50131548   

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))	BDBM50131548 (4-[4-(2-Acetylamino-3-{4-[(2-carboxy-phenyl)-oxaly...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccc(c(O)c2C(=O)OC)-c2ccccc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C40H41N3O11/c1-4-26-22-25(16-18-31(26)43(37(47)39(50)51)32-15-9-8-14-29(32)38(48)49)23-30(42-24(2)44)36(46)41-20-10-11-21-54-33-19-17-28(27-12-6-5-7-13-27)35(45)34(33)40(52)53-3/h5-9,12-19,22,30,45H,4,10-11,20-21,23H2,1-3H3,(H,41,46)(H,42,44)(H,48,49)(H,50,51)	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	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein-tyrosine phosphatase alpha (Homo sapiens (Human))	BDBM50131548 (4-[4-(2-Acetylamino-3-{4-[(2-carboxy-phenyl)-oxaly...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccc(c(O)c2C(=O)OC)-c2ccccc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C40H41N3O11/c1-4-26-22-25(16-18-31(26)43(37(47)39(50)51)32-15-9-8-14-29(32)38(48)49)23-30(42-24(2)44)36(46)41-20-10-11-21-54-33-19-17-28(27-12-6-5-7-13-27)35(45)34(33)40(52)53-3/h5-9,12-19,22,30,45H,4,10-11,20-21,23H2,1-3H3,(H,41,46)(H,42,44)(H,48,49)(H,50,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	840	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 against T cell protein tyrosine phosphatase				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair