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 = 'BDBM50183056'   

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))	BDBM50183056 (CHEMBL3818087) Show SMILES CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2cn(CCCOc3ccc(O)c(c3)C(O)=O)nn2)[C@H]1OCc1cn(CCCOc2ccc(O)c(c2)C(O)=O)nn1 |r| Show InChI InChI=1S/C47H52N6O14/c1-60-47-44(66-29-34-25-53(51-49-34)19-9-21-63-36-15-17-40(55)38(23-36)46(58)59)43(42(64-27-32-12-6-3-7-13-32)41(67-47)30-61-26-31-10-4-2-5-11-31)65-28-33-24-52(50-48-33)18-8-20-62-35-14-16-39(54)37(22-35)45(56)57/h2-7,10-17,22-25,41-44,47,54-55H,8-9,18-21,26-30H2,1H3,(H,56,57)(H,58,59)/t41-,42-,43+,44-,47+/m1/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	7.70E+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 using p-nitrophenyl phosphate as substrate by micro plate reader method				Bioorg Med Chem 24: 3343-52 (2016) Article DOI: 10.1016/j.bmc.2016.06.035 BindingDB Entry DOI: 10.7270/Q20Z756P
					More data for this Ligand-Target Pair