Found 5 hits of Enzyme Inhibition Constant Data 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)) | BDBM50155759
(CHEMBL3781453)Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CCO)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r| Show InChI InChI=1S/C20H36N2O2/c1-14(10-13-23)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)22-18(21)24/h14,16-17,23H,2,5-13H2,1,3-4H3,(H3,21,22,24)/t14-,16-,17+,19+,20-/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 | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lucknow
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay |
Bioorg Med Chem Lett 26: 1988-92 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.003 BindingDB Entry DOI: 10.7270/Q2514147 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50155760
(CHEMBL3780639)Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CNC(N)=O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r| Show InChI InChI=1S/C20H36N4O2/c1-13(12-23-17(21)25)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)24-18(22)26/h13,15-16H,2,5-12H2,1,3-4H3,(H3,21,23,25)(H3,22,24,26)/t13-,15-,16+,19+,20-/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 | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lucknow
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay |
Bioorg Med Chem Lett 26: 1988-92 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.003 BindingDB Entry DOI: 10.7270/Q2514147 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50155761
(CHEMBL3782051)Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)C\C=N\OC(C)=O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r| Show InChI InChI=1S/C22H37N3O3/c1-15(11-14-24-28-17(3)26)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)25-20(23)27/h14-15,18-19H,2,6-13H2,1,3-5H3,(H3,23,25,27)/b24-14+/t15-,18-,19+,21+,22-/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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lucknow
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay |
Bioorg Med Chem Lett 26: 1988-92 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.003 BindingDB Entry DOI: 10.7270/Q2514147 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50155762
(CHEMBL3781672)Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)C\C=N\O)[C@@]1(C)CCC[C@]2(C)NC(N)=O |r| Show InChI InChI=1S/C20H35N3O2/c1-14(10-13-22-25)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)23-18(21)24/h13-14,16-17,25H,2,5-12H2,1,3-4H3,(H3,21,23,24)/b22-13+/t14-,16-,17+,19+,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lucknow
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay |
Bioorg Med Chem Lett 26: 1988-92 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.003 BindingDB Entry DOI: 10.7270/Q2514147 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50155758
(Imbricatolic Acid)Show SMILES [H][C@@]12CCC(=C)[C@H](CC[C@H](C)CCO)[C@@]1(C)CCC[C@]2(C)C(O)=O |r| Show InChI InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Lucknow
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PTP-1B using IR5 insulin receptor residues as substrate after 30 mins by malachite green assay |
Bioorg Med Chem Lett 26: 1988-92 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.003 BindingDB Entry DOI: 10.7270/Q2514147 |
More data for this Ligand-Target Pair | |