Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50046892
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50346601(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(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)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
Affinity DataIC50: 730nMAssay Description:Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50135267(CHEMBL3746974)
Show SMILES CC(C)=CCC[C@](C)(NC(=O)N[C@@](C)(CCC=C(C)C)[C@@H]1CCC(C)=CC1)[C@@H]1CCC(C)=CC1
Show InChI InChI=1S/C31H52N2O/c1-23(2)11-9-21-30(7,27-17-13-25(5)14-18-27)32-29(34)33-31(8,22-10-12-24(3)4)28-19-15-26(6)16-20-28/h11-13,15,27-28H,9-10,14,16-22H2,1-8H3,(H2,32,33,34)/t27-,28-,30-,31-/m0/s1
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50135235(CHEMBL457458)
Show SMILES CC(C)[C@@H]1CC[C@](C)(N=C=S)[C@@H]2CCC(C)=C[C@H]12
Show InChI InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Tohoku Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50135236(CHEMBL3747131)
Show SMILES CC(C)=CCC[C@](C)(N)[C@@H]1CCC(C)=CC1
Show InChI InChI=1S/C15H27N/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11,16H2,1-4H3/t14-,15-/m0/s1
Affinity DataIC50: 4.50E+4nMAssay Description:Inhibition of recombinant human PTP1B using pNPP as substrate incubated for 10 mins prior to substrate addition measured after 30 mins by microplate ...More data for this Ligand-Target Pair