Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50124513'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50124513 (2-Carboxymethoxy-5-[(S)-2-pentylcarbamoyl-2-((S)-2...) Show SMILES CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 Show InChI InChI=1S/C33H37N3O9/c1-2-3-10-17-34-30(39)26(20-23-15-16-28(44-21-29(37)38)25(18-23)32(41)42)35-31(40)27(19-22-11-6-4-7-12-22)36-33(43)45-24-13-8-5-9-14-24/h4-9,11-16,18,26-27H,2-3,10,17,19-21H2,1H3,(H,34,39)(H,35,40)(H,36,43)(H,37,38)(H,41,42)/t26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human protein tyrosine phosphatase 1B (PTP1B)				Bioorg Med Chem Lett 13: 971-5 (2003) BindingDB Entry DOI: 10.7270/Q24M93WC
					More data for this Ligand-Target Pair