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 = 'BDBM50246625'   

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))	BDBM50246625 (13-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydrox...) Show SMILES CC1(C)CC[C@]2(CCCCCCCCCCCCC(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:25| Show InChI InChI=1S/C42H72O3/c1-37(2)26-28-42(23-17-15-13-11-9-8-10-12-14-16-18-36(44)45)29-27-40(6)31(32(42)30-37)19-20-34-39(5)24-22-35(43)38(3,4)33(39)21-25-41(34,40)7/h19,32-35,43H,8-18,20-30H2,1-7H3,(H,44,45)/t32-,33-,34+,35-,39-,40+,41+,42+/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	590	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) by pNPP assay				Bioorg Med Chem 16: 8697-705 (2008) Article DOI: 10.1016/j.bmc.2008.07.080 BindingDB Entry DOI: 10.7270/Q2HX1CH7
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