BDBM50131551 2-carboxy(2-ethyl-4-{2-methylcarboxamido-2-[4-(2-methyloxycarbonylphenoxy)butylcarbamoyl]ethyl}phenyl)carboxamidobenzoic acid::CHEMBL116744

SMILES: CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccccc2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=DSRLMHVYLXRMRL-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 = 50131551   

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 alpha (Homo sapiens (Human))	BDBM50131551 (2-carboxy(2-ethyl-4-{2-methylcarboxamido-2-[4-(2-m...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccccc2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O10/c1-4-23-19-22(15-16-27(23)37(31(40)33(43)44)28-13-7-5-11-24(28)32(41)42)20-26(36-21(2)38)30(39)35-17-9-10-18-47-29-14-8-6-12-25(29)34(45)46-3/h5-8,11-16,19,26H,4,9-10,17-18,20H2,1-3H3,(H,35,39)(H,36,38)(H,41,42)(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50131551 (2-carboxy(2-ethyl-4-{2-methylcarboxamido-2-[4-(2-m...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccccc2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H37N3O10/c1-4-23-19-22(15-16-27(23)37(31(40)33(43)44)28-13-7-5-11-24(28)32(41)42)20-26(36-21(2)38)30(39)35-17-9-10-18-47-29-14-8-6-12-25(29)34(45)46-3/h5-8,11-16,19,26H,4,9-10,17-18,20H2,1-3H3,(H,35,39)(H,36,38)(H,41,42)(H,43,44)	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	1.60E+3	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)