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 = 'BDBM50224541'   

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))	BDBM50224541 (2-(4-(benzyloxy)-3-(2-(2-(4-chlorophenyl)-4-methyl...) Show SMILES Cc1nc(sc1CCOc1cc(ccc1OCc1ccccc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1 |w:23.26| Show InChI InChI=1S/C28H23ClF3NO5S/c1-17-24(39-25(33-17)19-7-10-21(29)11-8-19)13-14-37-23-15-20(27(36,26(34)35)28(30,31)32)9-12-22(23)38-16-18-5-3-2-4-6-18/h2-12,15,36H,13-14,16H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of PTP1B in a cell-free assay				Bioorg Med Chem Lett 17: 6579-83 (2007) Article DOI: 10.1016/j.bmcl.2007.09.069 BindingDB Entry DOI: 10.7270/Q2W37W1K
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50224541 (2-(4-(benzyloxy)-3-(2-(2-(4-chlorophenyl)-4-methyl...) Show SMILES Cc1nc(sc1CCOc1cc(ccc1OCc1ccccc1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1 |w:23.26| Show InChI InChI=1S/C28H23ClF3NO5S/c1-17-24(39-25(33-17)19-7-10-21(29)11-8-19)13-14-37-23-15-20(27(36,26(34)35)28(30,31)32)9-12-22(23)38-16-18-5-3-2-4-6-18/h2-12,15,36H,13-14,16H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of PTP1B expressed in Sf9 cells				Bioorg Med Chem Lett 17: 6579-83 (2007) Article DOI: 10.1016/j.bmcl.2007.09.069 BindingDB Entry DOI: 10.7270/Q2W37W1K
					More data for this Ligand-Target Pair