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  29 IC50  8 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 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
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
TargetSerine/threonine-protein kinase Nek1(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd: <100nMAssay Description:Inhibition of NEK1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase Nek3(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd: <100nMAssay Description:Inhibition of NEK3 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSerine/threonine-protein kinase Nek9(Homo sapiens (Human))TBA
LigandPNGBDBM50311017(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Affinity DataKd: <100nMAssay Description:Inhibition of NEK9 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
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