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-LSDHHAIUSA-N

Data  27 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50073765   

TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  25nMAssay Description:Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determinedMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaantibodypediaGoogleScholar

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetEpidermal growth factor receptor(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  5.10E+3nMAssay Description:Inhibit of epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Weill Cornell Medical College

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  1.50E+5nMAssay Description:Inhibition of Protein kinase AMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  1.50E+5nMAssay Description:Inhibition of Protein kinase AMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

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TargetEpidermal growth factor receptor(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  5.10E+3nMAssay Description:Inhibit of epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

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TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  31nMAssay Description:Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determinedMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  31nMAssay Description:Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determinedMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetProtein kinase C alpha type(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  1.35E+4nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
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TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
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TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

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

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetDual specificity protein kinase CLK3(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

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TargetDual specificity protein kinase CLK4(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
antibodypediaantibodypediaGoogleScholar

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TargetPlatelet-derived growth factor receptor alpha(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

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TargetCyclin-dependent kinase 5 activator 1(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

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TargetCDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
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TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  31nMAssay Description:Inhibition of CDK1/cyclin B1 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Palack£

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Sri International

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

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

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetProtein kinase C alpha type(Homo sapiens (Human))
Novartis Pharmaceuticals

Curated by ChEMBL

LigandBDBM50073765(CHEMBL367625 | N*2*-((1R,2S)-2-Amino-cyclohexyl)-N...)Copy SMILESCopy InChI

Affinity DataIC50:  1.35E+4nMAssay Description:Inhibition of Protein kinase C alphaMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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