BDBM50170831 CHEMBL188343::N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine::N6-cyclohexyl-N2-(4-morpholinophenyl)-9H-purine-2,6-diamine::N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine

SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12

InChI Key InChIKey=ZFLJHSQHILSNCM-UHFFFAOYSA-N

Data  3 KI  24 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50170831   

TargetTyrosine-protein kinase JAK1(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 350nMAssay Description:Inhibition of JAK1 JH1 domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant C-terminal Histidine tagged TYK2 JH1 (886 to 1187 residues) expressed in Sf9 cells by chromatography methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 60nMAssay Description:Inhibition of human recombinant C-terminal Histidine tagged TYK2 JH2 (564 to 876 residues) expressed in Sf9 cells by chromatography methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 350nMAssay Description:Inhibition of human JAK1 JH1 (866 to 1154 residues)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 680nMAssay Description:Inhibition of human JAK2 JH1 (836 to 1132 residues)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human JAK2 JH2 (503 to 827 residues)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 1.90E+3nMAssay Description:Binding affinity to JAK2 JH2 V617F mutant (unknown origin) assessed as dissociation constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 1.30E+3nMAssay Description:Binding affinity to wild type JAK2 JH2 (unknown origin) assessed as dissociation constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 4nMAssay Description:Inhibition of MPS1 (unknown origin) using MAD1-MAD2 complex as substrate incubated for 1 hr in presence of gamma-[32P]ATP by densitometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetAurora kinase B(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 99nMAssay Description:Inhibition of GST-fused AURORA B (1 to 344 residues) expressed in Escherichia coli co-expressing human INCENP assessed as reduction in phosphorylatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 120nMAssay Description:Inhibition of human recombinant TYK2 JH1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 60nMAssay Description:Inhibition of human recombinant TYK2 JH2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 300nMAssay Description:Inhibition of JAK3 JH1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of JAK3 JH2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetAurora kinase B(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 75nMAssay Description:Inhibition of Aur BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 680nMAssay Description:Inhibition of JAK2 JH1 domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetAurora kinase C(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 400nMAssay Description:Inhibition of recombinant full-length His-tagged human Aurora C expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAurora kinase B(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 500nMAssay Description:Inhibition of recombinant full-length His-tagged human Aurora B expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 400nMAssay Description:Inhibition of recombinant full-length His-tagged human Aurora A expressed in baculovirus expression systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase PLK1(Human)
Myrexis

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PLK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Lanzhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 110nMAssay Description:Inhibition of Aur AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Mps1More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Mouse)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 8nMAssay Description:Inhibition of MEK1 in mouse C2C12 by ERK2 phosphorylation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guizhou University

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataIC50: 2.80nMAssay Description:Inhibition of human TTK-mediated MAD1/MAD2 complex phosphorylation after 1 hr by scintillation counting analysis in presence of gamma-[32P]ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataKi:  660nMAssay Description:Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataKi: >1.00E+4nMAssay Description:Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50170831(N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-...)
Affinity DataKi: >1.00E+4nMAssay Description:Percent inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed