BDBM50311017 CHEMBL1078178::Momelotinib::N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide::US10112907, Example 00019::US10766894, Compound TABLE 1.4::US11203595, TABLE 1.4::US9469613, CYT-0387

SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1

InChI Key InChIKey=ZVHNDZWQTBEVRY-UHFFFAOYSA-N

Data  25 IC50  5 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50311017   

TargetFerrochelatase, mitochondrial [R115L](Homo sapiens (Human))
Technical University Of Munich

LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd:  3.40E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  155nMMore data for this Ligand-Target Pair
In DepthDetails
TargetBone morphogenetic protein receptor type-1A(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  405nM Kd:  1.00E+3nMAssay Description:Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBone morphogenetic protein receptor type-1B(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  107nM Kd:  19nMAssay Description:Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  205nM Kd:  670nMAssay Description:Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  18nMAssay Description:Inhibition of GST-tagged JAK2 kinaseMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  155nMAssay Description:Inhibition of GST-tagged JAK3 kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  11nMAssay Description:Inhibition of GST-tagged JAK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1 [866-1154](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  20nMpH: 7.5Assay Description:A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2 [808-1132](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  20nMpH: 7.5Assay Description:A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3 [811-1124](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  210nMpH: 7.5Assay Description:A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNon-receptor tyrosine-protein kinase TYK2 [888-1187](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  30nMpH: 7.5Assay Description:A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  41nMAssay Description:Inhibition of JAK2 (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  20nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  20nMAssay 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 ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  210nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  30nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK1 [866-1154](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  20nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2 [808-1132](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  20nMAssay 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 ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3 [811-1124](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  210nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNon-receptor tyrosine-protein kinase TYK2 [888-1187](Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  30nMAssay 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 ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  18nMAssay Description:Inhibition of JAK 2 (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  11nMAssay Description:Inhibition of JAK 1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  18nMAssay Description:Inhibition of human JAK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human JAK2 kinase domainMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  134nMAssay Description:Inhibition of human JAK3 kinase domainMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase Nek1(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd: <100nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSerine/threonine-protein kinase Nek3(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd: <100nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSerine/threonine-protein kinase Nek9(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd: <100nMMore data for this Ligand-Target Pair
In DepthDetails
TargetSerine/threonine-protein kinase Nek9(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  100nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  11nMMore data for this Ligand-Target Pair
In DepthDetails
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Cytopia Research

Curated by ChEMBL
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  18nMMore data for this Ligand-Target Pair
In DepthDetails PDB3D3D Structure (crystal)
TargetActivin receptor type-1(Homo sapiens (Human))
Gilead Sciences

US Patent
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataIC50:  8nM Kd:  25nMAssay Description:Biochemical binding assays (DiscoveRx) and in vitro enzyme inhibition assays (LanthaScreen, Life Technologies) were conducted to determine the bindin...More data for this Ligand-Target Pair