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 = 'BDBM50036279'   

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))	BDBM50036279 (CHEMBL3353037) Show SMILES [H][C@]12C[C@@H](C)C[C@@H](C)[C@]1([H])[C@@H](\C=C\C=C\C(O)=O)[C@@H](C)C=C2 |r,c:21| Show InChI InChI=1S/C18H26O2/c1-12-10-14(3)18-15(11-12)9-8-13(2)16(18)6-4-5-7-17(19)20/h4-9,12-16,18H,10-11H2,1-3H3,(H,19,20)/b6-4+,7-5+/t12-,13-,14+,15-,16-,18-/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	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wonkwang University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B assessed as reduction in pNPP substrate hydrolysis incubated for 30 mins				Bioorg Med Chem Lett 24: 5787-91 (2014) Article DOI: 10.1016/j.bmcl.2014.10.035 BindingDB Entry DOI: 10.7270/Q2KS6T4T
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