BDBM50073765 CHEMBL367625::N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-phenyl)-9-ethyl-9H-purine-2,6-diamine

SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12

InChI Key InChIKey=UTBSBSOBZHXMHI-UHFFFAOYSA-N

Data  27 IC50  1 EC50

PDB links: 2 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50073765   

TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 573nMAssay Description:Inhibition of human CDK4/cyclinD3 using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 26nMAssay Description:Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 147nMAssay Description:Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 31nMAssay Description:Inhibition of CDK1/cyclin B1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 279nMAssay Description:Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 26nMAssay Description:Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 46nMAssay Description:Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 17nMAssay Description:Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of recombinant human N-terminal GST-His6 tagged PDGFRalpha (Q551 to L1089 residues) expressed in Sf9 insect cells using poly(Ala,Glu,Lys,T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human CDK6/cyclinD3 using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
TargetDual specificity protein kinase CLK4(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 104nMAssay Description:Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
TargetDual specificity protein kinase CLK3(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human CLK3 using ERMRPRKRQGSVRRRV as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 25nMAssay Description:Inhibition of Cyclin-dependent kinase 1, CDK1-related human bladder carcinoma (T24) cell proliferationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDual specificity protein kinase CLK1(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataEC50:  4.20E+3nMAssay Description:Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as MDM2-pre mRNA exon skipping after 4 hrs by luciferase reporter gene a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 382nMAssay Description:Inhibition of human CDK1/cyclinB using Histone H1 as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDual specificity protein kinase CLK2(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 111nMAssay Description:Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
TargetDual specificity protein kinase CLK1(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 148nMAssay Description:Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2019
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 31nMAssay Description:Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 1(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 31nMAssay Description:Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibit of epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.50E+5nMAssay Description:Inhibition of Protein kinase AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.50E+5nMAssay Description:Inhibition of Protein kinase AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMed
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Human)
Weill Cornell Medical College

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetEpidermal growth factor receptor(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibit of epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMed
TargetProtein kinase C alpha type(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50073765(N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-p...)
Affinity DataIC50: 1.35E+4nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMed