Found 25 hits of ic50 for monomerid = 50311017 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 |
Activin receptor type-1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| PDB US Patent
| n/a | n/a | 8 | 25 | n/a | n/a | n/a | n/a | n/a |
GILEAD SCIENCES, INC.
US Patent
| Assay Description Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin... |
US Patent US9469613 (2016)
BindingDB Entry DOI: 10.7270/Q2J1024J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01467 BindingDB Entry DOI: 10.7270/Q24Q801K |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged JAK1 |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128728 BindingDB Entry DOI: 10.7270/Q2474FX8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128728 BindingDB Entry DOI: 10.7270/Q2474FX8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged JAK2 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01467 BindingDB Entry DOI: 10.7270/Q24Q801K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK2 [808-1132]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG
US Patent
| Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J... |
US Patent US10112907 (2018)
BindingDB Entry DOI: 10.7270/Q2FX7CHW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1 [866-1154]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG
US Patent
| Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J... |
US Patent US10112907 (2018)
BindingDB Entry DOI: 10.7270/Q2FX7CHW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
NOVARTIS AG
US Patent
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
US Patent US10766894 (2020)
BindingDB Entry DOI: 10.7270/Q2TX3JDH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2 [808-1132]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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TBA
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1 [866-1154]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
NOVARTIS AG
US Patent
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
US Patent US10766894 (2020)
BindingDB Entry DOI: 10.7270/Q2TX3JDH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
NOVARTIS AG
US Patent
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
US Patent US10766894 (2020)
BindingDB Entry DOI: 10.7270/Q2TX3JDH |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [888-1187]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG
US Patent
| Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J... |
US Patent US10112907 (2018)
BindingDB Entry DOI: 10.7270/Q2FX7CHW |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [888-1187]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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TBA
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after... |
J Med Chem 61: 6056-6074 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bone morphogenetic protein receptor type-1B
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 107 | 19 | n/a | n/a | n/a | n/a | n/a |
GILEAD SCIENCES, INC.
US Patent
| Assay Description Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin... |
US Patent US9469613 (2016)
BindingDB Entry DOI: 10.7270/Q2J1024J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128728 BindingDB Entry DOI: 10.7270/Q2474FX8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytopia Research Pty Ltd
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged JAK3 kinase |
Bioorg Med Chem Lett 19: 5887-92 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM |
More data for this Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Similars
| US Patent
| n/a | n/a | 205 | 670 | n/a | n/a | n/a | n/a | n/a |
GILEAD SCIENCES, INC.
US Patent
| Assay Description Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin... |
US Patent US9469613 (2016)
BindingDB Entry DOI: 10.7270/Q2J1024J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [811-1124]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | 7.5 | n/a |
NOVARTIS AG
US Patent
| Assay Description A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J... |
US Patent US10112907 (2018)
BindingDB Entry DOI: 10.7270/Q2FX7CHW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
NOVARTIS AG
US Patent
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
US Patent US10766894 (2020)
BindingDB Entry DOI: 10.7270/Q2TX3JDH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3 [811-1124]
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | |
Bone morphogenetic protein receptor type-1A
(Homo sapiens (Human)) | BDBM50311017
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28) | PDB
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 405 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
GILEAD SCIENCES, INC.
US Patent
| Assay Description Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin... |
US Patent US9469613 (2016)
BindingDB Entry DOI: 10.7270/Q2J1024J |
More data for this Ligand-Target Pair | |