Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50087883'   

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))	BDBM50087883 (CHEMBL3426930) Show SMILES CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C39H56F4N4O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-33(48)45-31(24-27-17-21-29(22-18-27)39(42,43)61(57,58)59)36(52)47-32(25-34(49)50)37(53)46-30(35(44)51)23-26-15-19-28(20-16-26)38(40,41)60(54,55)56/h15-22,30-32H,2-14,23-25H2,1H3,(H2,44,51)(H,45,48)(H,46,53)(H,47,52)(H,49,50)(H2,54,55,56)(H2,57,58,59)/t30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50087883 (CHEMBL3426930) Show SMILES CCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C39H56F4N4O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-33(48)45-31(24-27-17-21-29(22-18-27)39(42,43)61(57,58)59)36(52)47-32(25-34(49)50)37(53)46-30(35(44)51)23-26-15-19-28(20-16-26)38(40,41)60(54,55)56/h15-22,30-32H,2-14,23-25H2,1H3,(H2,44,51)(H,45,48)(H,46,53)(H,47,52)(H,49,50)(H2,54,55,56)(H2,57,58,59)/t30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of PTP1B (unknown origin)				Bioorg Med Chem 23: 2786-97 (2015) Article DOI: 10.1016/j.bmc.2015.03.075 BindingDB Entry DOI: 10.7270/Q2BG2QQD
					More data for this Ligand-Target Pair