BDBM50311017 CHEMBL1078178::Momelotinib::N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide::US10112907, Example 00019::US10766894, Compound TABLE 1.4::US9469613, CYT-0387
SMILES: O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
InChI Key: InChIKey=ZVHNDZWQTBEVRY-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ferrochelatase R115L (FECH) (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a |
Technical University of Munich | Assay Description Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30... | ACS Chem Biol 11: 1245-54 (2016) Article DOI: 10.1021/acschembio.5b01063 BindingDB Entry DOI: 10.7270/Q2FB51R8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor-like kinase 3 (ALK-3) (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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 | |||||||||||||
TGF-beta receptor type-1 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents 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 JAK2 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
JAK1 (aa 866-1154) (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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 | |||||||||||||
JAK2 (aa 808-1132) (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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 | |||||||||||||
JAK3 (aa 811-1124) (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | 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 | |||||||||||||
TYK2 (aa 888-1187) (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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 | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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 | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | 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) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Activin receptor type-1 (Homo sapiens (Human)) | BDBM50311017 (CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | 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) |