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 = 'BDBM50183061'   

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))	BDBM50183061 (CHEMBL3818579) Show SMILES CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2cn(nn2)[C@@H](Cc2ccc(O)cc2)C(=O)OC)[C@@H](OCc2cn(nn2)[C@@H](Cc2ccc(O)cc2)C(=O)OC)[C@H]1OCc1ccccc1 |r| Show InChI InChI=1S/C47H52N6O12/c1-58-45(56)39(22-31-14-18-37(54)19-15-31)52-24-35(48-50-52)28-63-42-41(30-61-26-33-10-6-4-7-11-33)65-47(60-3)44(62-27-34-12-8-5-9-13-34)43(42)64-29-36-25-53(51-49-36)40(46(57)59-2)23-32-16-20-38(55)21-17-32/h4-21,24-25,39-44,47,54-55H,22-23,26-30H2,1-3H3/t39-,40-,41+,42+,43+,44+,47-/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	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B catalytic domain expressed in Escherichia coli BL21 (DE3) cells using p-Nitrophenyl phosphate as substrate by m...				Bioorg Med Chem 24: 3343-52 (2016) Article DOI: 10.1016/j.bmc.2016.06.035 BindingDB Entry DOI: 10.7270/Q20Z756P
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