BDBM50131546 2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-methylcarbamoyl-phenoxy)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-amino]-benzoic acid::CHEMBL116901

SMILES: CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)NC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=MOSWXYTWKAJKPK-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 = 50131546   

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))	BDBM50131546 (2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-methylcarba...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)NC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H38N4O10/c1-4-22-18-21(14-15-25(22)38(32(43)34(46)47)26-11-6-5-10-23(26)33(44)45)19-24(37-20(2)39)30(41)36-16-7-8-17-48-28-13-9-12-27(40)29(28)31(42)35-3/h5-6,9-15,18,24,40H,4,7-8,16-17,19H2,1-3H3,(H,35,42)(H,36,41)(H,37,39)(H,44,45)(H,46,47)	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	370	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))	BDBM50131546 (2-[(4-{2-Acetylamino-2-[4-(3-hydroxy-2-methylcarba...) Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)NC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H38N4O10/c1-4-22-18-21(14-15-25(22)38(32(43)34(46)47)26-11-6-5-10-23(26)33(44)45)19-24(37-20(2)39)30(41)36-16-7-8-17-48-28-13-9-12-27(40)29(28)31(42)35-3/h5-6,9-15,18,24,40H,4,7-8,16-17,19H2,1-3H3,(H,35,42)(H,36,41)(H,37,39)(H,44,45)(H,46,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	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