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 = 'BDBM50543509'   

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))	BDBM50543509 (CHEMBL4636119) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(COc2cc(COc3ccc(C(O)=O)c(O)c3)ccc2C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C44H37NO10S/c1-2-54-56(50,51)25-24-30-8-10-31(11-9-30)28-53-42-26-32(29-52-38-21-23-39(44(48)49)41(46)27-38)12-22-40(42)43(47)45-35-15-19-37(20-16-35)55-36-17-13-34(14-18-36)33-6-4-3-5-7-33/h3-27,46H,2,28-29H2,1H3,(H,45,47)(H,48,49)/b25-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	70	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))	BDBM50543509 (CHEMBL4636119) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(COc2cc(COc3ccc(C(O)=O)c(O)c3)ccc2C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C44H37NO10S/c1-2-54-56(50,51)25-24-30-8-10-31(11-9-30)28-53-42-26-32(29-52-38-21-23-39(44(48)49)41(46)27-38)12-22-40(42)43(47)45-35-15-19-37(20-16-35)55-36-17-13-34(14-18-36)33-6-4-3-5-7-33/h3-27,46H,2,28-29H2,1H3,(H,45,47)(H,48,49)/b25-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Mizoram University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using p-NPP as substrate after 0.5 hrs				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115263 BindingDB Entry DOI: 10.7270/Q2T43XN8
					More data for this Ligand-Target Pair