Found 102 hits Enz. Inhib. hit(s) with all data for entry = 50009588 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50530254
![PNG](/data/jpeg/tenK5053/BindingDB_50530254.png) (CHEMBL4475043)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Q-patch assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50530254
![PNG](/data/jpeg/tenK5053/BindingDB_50530254.png) (CHEMBL4475043)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Q-patch assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530254
![PNG](/data/jpeg/tenK5053/BindingDB_50530254.png) (CHEMBL4475043)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530254
![PNG](/data/jpeg/tenK5053/BindingDB_50530254.png) (CHEMBL4475043)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50530252
![PNG](/data/jpeg/tenK5053/BindingDB_50530252.png) (CHEMBL4475081)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Q-patch assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50530252
![PNG](/data/jpeg/tenK5053/BindingDB_50530252.png) (CHEMBL4475081)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ERG by Q-patch assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530255
![PNG](/data/jpeg/tenK5053/BindingDB_50530255.png) (CHEMBL4452417 | US10975080, Example 70)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccncc4)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25N7O2/c1-12-16(21)20(11-29-12)5-9-27(10-6-20)19-23-17-14(18(28)26(19)2)15(24-25-17)13-3-7-22-8-4-13/h3-4,7-8,12,16H,5-6,9-11,21H2,1-2H3,(H,24,25)/t12-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530255
![PNG](/data/jpeg/tenK5053/BindingDB_50530255.png) (CHEMBL4452417 | US10975080, Example 70)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccncc4)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25N7O2/c1-12-16(21)20(11-29-12)5-9-27(10-6-20)19-23-17-14(18(28)26(19)2)15(24-25-17)13-3-7-22-8-4-13/h3-4,7-8,12,16H,5-6,9-11,21H2,1-2H3,(H,24,25)/t12-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530249
![PNG](/data/jpeg/tenK5053/BindingDB_50530249.png) (CHEMBL4455446 | US10975080, Example 14)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H24Cl2N6O2/c1-11-17(24)21(10-31-11)6-8-29(9-7-21)20-25-18-14(19(30)28(20)2)16(26-27-18)12-4-3-5-13(22)15(12)23/h3-5,11,17H,6-10,24H2,1-2H3,(H,26,27)/t11-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530249
![PNG](/data/jpeg/tenK5053/BindingDB_50530249.png) (CHEMBL4455446 | US10975080, Example 14)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H24Cl2N6O2/c1-11-17(24)21(10-31-11)6-8-29(9-7-21)20-25-18-14(19(30)28(20)2)16(26-27-18)12-4-3-5-13(22)15(12)23/h3-5,11,17H,6-10,24H2,1-2H3,(H,26,27)/t11-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530250
![PNG](/data/jpeg/tenK5053/BindingDB_50530250.png) (CHEMBL4436233 | US10975080, Example 32)Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530250
![PNG](/data/jpeg/tenK5053/BindingDB_50530250.png) (CHEMBL4436233 | US10975080, Example 32)Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530257
![PNG](/data/jpeg/tenK5053/BindingDB_50530257.png) (CHEMBL4570587 | US10975080, Example 84)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(Sc4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25ClN8O2S/c1-10-14(22)20(9-31-10)4-7-29(8-5-20)19-25-16-12(18(30)28(19)2)17(27-26-16)32-11-3-6-24-15(23)13(11)21/h3,6,10,14H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530257
![PNG](/data/jpeg/tenK5053/BindingDB_50530257.png) (CHEMBL4570587 | US10975080, Example 84)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(Sc4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25ClN8O2S/c1-10-14(22)20(9-31-10)4-7-29(8-5-20)19-25-16-12(18(30)28(19)2)17(27-26-16)32-11-3-6-24-15(23)13(11)21/h3,6,10,14H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530249
![PNG](/data/jpeg/tenK5053/BindingDB_50530249.png) (CHEMBL4455446 | US10975080, Example 14)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H24Cl2N6O2/c1-11-17(24)21(10-31-11)6-8-29(9-7-21)20-25-18-14(19(30)28(20)2)16(26-27-18)12-4-3-5-13(22)15(12)23/h3-5,11,17H,6-10,24H2,1-2H3,(H,26,27)/t11-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530244
![PNG](/data/jpeg/tenK5053/BindingDB_50530244.png) (CHEMBL4461938)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H23Cl2N7O2/c1-10-15(23)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(22)13(11)21/h3,6,10,15H,4-5,7-9,23H2,1-2H3,(H,26,27)/t10-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530249
![PNG](/data/jpeg/tenK5053/BindingDB_50530249.png) (CHEMBL4455446 | US10975080, Example 14)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H24Cl2N6O2/c1-11-17(24)21(10-31-11)6-8-29(9-7-21)20-25-18-14(19(30)28(20)2)16(26-27-18)12-4-3-5-13(22)15(12)23/h3-5,11,17H,6-10,24H2,1-2H3,(H,26,27)/t11-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530244
![PNG](/data/jpeg/tenK5053/BindingDB_50530244.png) (CHEMBL4461938)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H23Cl2N7O2/c1-10-15(23)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(22)13(11)21/h3,6,10,15H,4-5,7-9,23H2,1-2H3,(H,26,27)/t10-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530256
![PNG](/data/jpeg/tenK5053/BindingDB_50530256.png) (CHEMBL4437876)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r| Show InChI InChI=1S/C21H24Cl2N6O/c1-28-19(30)15-17(12-4-2-5-13(22)16(12)23)26-27-18(15)25-20(28)29-10-8-21(9-11-29)7-3-6-14(21)24/h2,4-5,14H,3,6-11,24H2,1H3,(H,26,27)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530256
![PNG](/data/jpeg/tenK5053/BindingDB_50530256.png) (CHEMBL4437876)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r| Show InChI InChI=1S/C21H24Cl2N6O/c1-28-19(30)15-17(12-4-2-5-13(22)16(12)23)26-27-18(15)25-20(28)29-10-8-21(9-11-29)7-3-6-14(21)24/h2,4-5,14H,3,6-11,24H2,1H3,(H,26,27)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530256
![PNG](/data/jpeg/tenK5053/BindingDB_50530256.png) (CHEMBL4437876)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r| Show InChI InChI=1S/C21H24Cl2N6O/c1-28-19(30)15-17(12-4-2-5-13(22)16(12)23)26-27-18(15)25-20(28)29-10-8-21(9-11-29)7-3-6-14(21)24/h2,4-5,14H,3,6-11,24H2,1H3,(H,26,27)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530254
![PNG](/data/jpeg/tenK5053/BindingDB_50530254.png) (CHEMBL4475043)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530256
![PNG](/data/jpeg/tenK5053/BindingDB_50530256.png) (CHEMBL4437876)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(CCC[C@H]2N)CC1 |r| Show InChI InChI=1S/C21H24Cl2N6O/c1-28-19(30)15-17(12-4-2-5-13(22)16(12)23)26-27-18(15)25-20(28)29-10-8-21(9-11-29)7-3-6-14(21)24/h2,4-5,14H,3,6-11,24H2,1H3,(H,26,27)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530254
![PNG](/data/jpeg/tenK5053/BindingDB_50530254.png) (CHEMBL4475043)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C20H22Cl2N6O/c1-11-18(23)20(10-29-11)5-7-28(8-6-20)14-9-24-17-16(26-27-19(17)25-14)12-3-2-4-13(21)15(12)22/h2-4,9,11,18H,5-8,10,23H2,1H3,(H,25,26,27)/t11-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530253
![PNG](/data/jpeg/tenK5053/BindingDB_50530253.png) (CHEMBL4539178)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25ClN8O2/c1-10-15(22)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(23)13(11)21/h3,6,10,15H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530253
![PNG](/data/jpeg/tenK5053/BindingDB_50530253.png) (CHEMBL4539178)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25ClN8O2/c1-10-15(22)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(23)13(11)21/h3,6,10,15H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530245
![PNG](/data/jpeg/tenK5053/BindingDB_50530245.png) (CHEMBL4539145 | US10975080, Example 15)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530245
![PNG](/data/jpeg/tenK5053/BindingDB_50530245.png) (CHEMBL4539145 | US10975080, Example 15)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(CN)CC1 Show InChI InChI=1S/C19H22Cl2N6O/c1-19(10-22)6-8-27(9-7-19)18-23-16-13(17(28)26(18)2)15(24-25-16)11-4-3-5-12(20)14(11)21/h3-5H,6-10,22H2,1-2H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530251
![PNG](/data/jpeg/tenK5053/BindingDB_50530251.png) (CHEMBL4439006 | US10975080, Example 75)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530251
![PNG](/data/jpeg/tenK5053/BindingDB_50530251.png) (CHEMBL4439006 | US10975080, Example 75)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530251
![PNG](/data/jpeg/tenK5053/BindingDB_50530251.png) (CHEMBL4439006 | US10975080, Example 75)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530251
![PNG](/data/jpeg/tenK5053/BindingDB_50530251.png) (CHEMBL4439006 | US10975080, Example 75)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530246
![PNG](/data/jpeg/tenK5053/BindingDB_50530246.png) (CHEMBL4471006 | US10975080, Example 47)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4C)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H28N8O2/c1-11-13(4-5-14(22)24-11)16-15-18(27-26-16)25-20(28(3)19(15)30)29-8-6-21(7-9-29)10-31-12(2)17(21)23/h4-5,12,17H,6-10,23H2,1-3H3,(H2,22,24)(H,26,27)/t12-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530246
![PNG](/data/jpeg/tenK5053/BindingDB_50530246.png) (CHEMBL4471006 | US10975080, Example 47)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4C)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H28N8O2/c1-11-13(4-5-14(22)24-11)16-15-18(27-26-16)25-20(28(3)19(15)30)29-8-6-21(7-9-29)10-31-12(2)17(21)23/h4-5,12,17H,6-10,23H2,1-3H3,(H2,22,24)(H,26,27)/t12-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530246
![PNG](/data/jpeg/tenK5053/BindingDB_50530246.png) (CHEMBL4471006 | US10975080, Example 47)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4C)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H28N8O2/c1-11-13(4-5-14(22)24-11)16-15-18(27-26-16)25-20(28(3)19(15)30)29-8-6-21(7-9-29)10-31-12(2)17(21)23/h4-5,12,17H,6-10,23H2,1-3H3,(H2,22,24)(H,26,27)/t12-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530246
![PNG](/data/jpeg/tenK5053/BindingDB_50530246.png) (CHEMBL4471006 | US10975080, Example 47)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccc(N)nc4C)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C21H28N8O2/c1-11-13(4-5-14(22)24-11)16-15-18(27-26-16)25-20(28(3)19(15)30)29-8-6-21(7-9-29)10-31-12(2)17(21)23/h4-5,12,17H,6-10,23H2,1-3H3,(H2,22,24)(H,26,27)/t12-,17+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530252
![PNG](/data/jpeg/tenK5053/BindingDB_50530252.png) (CHEMBL4475081)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530252
![PNG](/data/jpeg/tenK5053/BindingDB_50530252.png) (CHEMBL4475081)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(c[nH]c3n2)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI InChI=1S/C21H23Cl2N5O/c1-12-19(24)21(11-29-12)5-7-28(8-6-21)16-10-25-18-14(9-26-20(18)27-16)13-3-2-4-15(22)17(13)23/h2-4,9-10,12,19H,5-8,11,24H2,1H3,(H,26,27)/t12-,19+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530247
![PNG](/data/jpeg/tenK5053/BindingDB_50530247.png) (CHEMBL4459445 | US10975080, Example 20)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r| Show InChI InChI=1S/C20H22Cl2N6O2/c1-27-18(29)14-16(11-3-2-4-12(21)15(11)22)25-26-17(14)24-19(27)28-7-5-20(6-8-28)10-30-9-13(20)23/h2-4,13H,5-10,23H2,1H3,(H,25,26)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530247
![PNG](/data/jpeg/tenK5053/BindingDB_50530247.png) (CHEMBL4459445 | US10975080, Example 20)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC2(COC[C@H]2N)CC1 |r| Show InChI InChI=1S/C20H22Cl2N6O2/c1-27-18(29)14-16(11-3-2-4-12(21)15(11)22)25-26-17(14)24-19(27)28-7-5-20(6-8-28)10-30-9-13(20)23/h2-4,13H,5-10,23H2,1H3,(H,25,26)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530250
![PNG](/data/jpeg/tenK5053/BindingDB_50530250.png) (CHEMBL4436233 | US10975080, Example 32)Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530250
![PNG](/data/jpeg/tenK5053/BindingDB_50530250.png) (CHEMBL4436233 | US10975080, Example 32)Show SMILES CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)n(C)c(=O)c23)c1Cl |r| Show InChI InChI=1S/C21H27ClN8O2/c1-11-16(23)21(10-32-11)5-8-30(9-6-21)20-26-17-13(19(31)29(20)3)15(27-28-17)12-4-7-25-18(24-2)14(12)22/h4,7,11,16H,5-6,8-10,23H2,1-3H3,(H,24,25)(H,27,28)/t11-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530240
![PNG](/data/jpeg/tenK5053/BindingDB_50530240.png) (CHEMBL4469071)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(N)CC1 Show InChI InChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)17-22-15-12(16(27)25(17)2)14(23-24-15)10-4-3-5-11(19)13(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530240
![PNG](/data/jpeg/tenK5053/BindingDB_50530240.png) (CHEMBL4469071)Show SMILES Cn1c(nc2[nH]nc(-c3cccc(Cl)c3Cl)c2c1=O)N1CCC(C)(N)CC1 Show InChI InChI=1S/C18H20Cl2N6O/c1-18(21)6-8-26(9-7-18)17-22-15-12(16(27)25(17)2)14(23-24-15)10-4-3-5-11(19)13(10)20/h3-5H,6-9,21H2,1-2H3,(H,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human 6His-tagged SHP2 (1 to 525 residues) expressed in Escherichia coli BL21 Star (DE3) using DiFMUP as substrate preincubated for 30 ... |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM38019
![PNG](/data/jpeg/tenK3/BindingDB_38019.png) (US10093646, Compound 1 | US10301278, Example 00003...)Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SHP2 (unknown origin) |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM38019
![PNG](/data/jpeg/tenK3/BindingDB_38019.png) (US10093646, Compound 1 | US10301278, Example 00003...)Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of SHP2 (unknown origin) |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530244
![PNG](/data/jpeg/tenK5053/BindingDB_50530244.png) (CHEMBL4461938)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H23Cl2N7O2/c1-10-15(23)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(22)13(11)21/h3,6,10,15H,4-5,7-9,23H2,1-2H3,(H,26,27)/t10-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530244
![PNG](/data/jpeg/tenK5053/BindingDB_50530244.png) (CHEMBL4461938)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(Cl)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H23Cl2N7O2/c1-10-15(23)20(9-31-10)4-7-29(8-5-20)19-25-17-12(18(30)28(19)2)14(26-27-17)11-3-6-24-16(22)13(11)21/h3,6,10,15H,4-5,7-9,23H2,1-2H3,(H,26,27)/t10-,15+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530257
![PNG](/data/jpeg/tenK5053/BindingDB_50530257.png) (CHEMBL4570587 | US10975080, Example 84)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(Sc4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25ClN8O2S/c1-10-14(22)20(9-31-10)4-7-29(8-5-20)19-25-16-12(18(30)28(19)2)17(27-26-16)32-11-3-6-24-15(23)13(11)21/h3,6,10,14H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 11
(Homo sapiens (Human)) | BDBM50530257
![PNG](/data/jpeg/tenK5053/BindingDB_50530257.png) (CHEMBL4570587 | US10975080, Example 84)Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(Sc4ccnc(N)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25ClN8O2S/c1-10-14(22)20(9-31-10)4-7-29(8-5-20)19-25-16-12(18(30)28(19)2)17(27-26-16)32-11-3-6-24-15(23)13(11)21/h3,6,10,14H,4-5,7-9,22H2,1-2H3,(H2,23,24)(H,26,27)/t10-,14+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of of SHP2 in human KYSE520 cells assessed as suppression of ERK phosphorylation after 2 hrs by AlphaScreen SureFire Phospho-ERK1/2 assay |
J Med Chem 62: 1781-1792 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01725 BindingDB Entry DOI: 10.7270/Q25T3PZD |
More data for this Ligand-Target Pair | |