BDBM12621 2,4-Diamino-5-ketopyrimidine 39::5-[(2,3-difluoro-6-methoxyphenyl)carbonyl]-2-N-(1-methanesulfonylpiperidin-4-yl)pyrimidine-2,4-diamine::R547::[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone

SMILES COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

InChI Key InChIKey=JRNJNYBQQYBCLE-UHFFFAOYSA-N

Data  9 KI  7 IC50  442 Kd

PDB links: 1 PDB ID matches this monomer.

  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 458 hits for monomerid = 12621   

TargetCyclin-dependent kinase 5(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of CDK5 (unknown origin) by kinase selectivity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  0.530nMAssay Description:Binding constant for CDK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 16(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  0.540nMAssay Description:Binding constant for PCTK1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  0.580nMAssay Description:Binding constant for CDK7 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 4(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  0.610nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 3(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of CDK3 (unknown origin) by kinase selectivity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 4(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  0.810nMAssay Description:Binding constant for CDK4-cyclinD1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 17(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  0.860nMAssay Description:Binding constant for PCTK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 1nMAssay Description:Inhibition of CDK4/Cyclin D1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 4(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  1nMAssay Description:Inhibition of CDK4 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  1nMAssay Description:Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2006
Entry Details Article
PubMed
TargetCyclin-dependent kinase 4(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  1nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  1nMAssay Description:Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2006
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  2nMAssay Description:Inhibition of CDK1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 1(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  2nMAssay Description:Inhibition of CDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSerine/threonine-protein kinase ICK(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  2.20nMAssay Description:Binding constant for ICK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  3nMAssay Description:Inhibition of CDK2 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  3nMAssay Description:Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKi:  3nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 3(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  3.20nMAssay Description:Binding constant for CDK3 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 6(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 4nMAssay Description:Inhibition of CDK6 (unknown origin) by kinase selectivity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 15(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  7.20nMAssay Description:Binding constant for PFTAIRE2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  7.40nMAssay Description:Binding constant for CDK5 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 14(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  11nMAssay Description:Binding constant for PFTK1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase MAK(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  11nMAssay Description:Binding constant for MAK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetDual specificity protein kinase CLK3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  13nMAssay Description:Binding constant for CLK3 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 9(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  15nMAssay Description:Binding constant for CDK9 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 18 [3-474](Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  20nMAssay Description:Binding constant for PCTK3 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  23nMAssay Description:Binding constant for DYRK1A kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 alpha(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 46nMAssay Description:Inhibition of GSK-3-alpha (unknown origin) by kinase selectivity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetDual specificity protein kinase CLK1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  66nMAssay Description:Binding constant for CLK1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetPeripheral plasma membrane protein CASK(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  66nMAssay Description:Binding constant for CASK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 15(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  69nMAssay Description:Binding constant for ERK8 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetDual specificity protein kinase CLK2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  80nMAssay Description:Binding constant for CLK2 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSTE20-like serine/threonine-protein kinase(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  96nMAssay Description:Binding constant for SLK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 13(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  110nMAssay Description:Binding constant for CDC2L5 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 7(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  110nMAssay Description:Binding constant for ERK5 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 171nMAssay Description:Inhibition of CDK7 (unknown origin) by kinase selectivity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase TAO3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  210nMAssay Description:Binding constant for TAOK3 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  230nMAssay Description:Binding constant for GSK3B kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  250nMAssay Description:Binding constant for DYRK1B kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataIC50: 260nMAssay Description:Inhibition of GSK-3-beta (unknown origin) by kinase selectivity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetGlycogen synthase kinase-3 alpha(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  280nMAssay Description:Binding constant for GSK3A kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetDual specificity protein kinase CLK4(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  310nMAssay Description:Binding constant for CLK4 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase 10(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  380nMAssay Description:Binding constant for LOK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetRibosomal protein S6 kinase alpha-2(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  390nMAssay Description:Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2 homolog(Plasmodium falciparum (isolate 3D7))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  600nMAssay Description:Binding constant for PFPK5(P.falciparum) kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase TAO1(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  600nMAssay Description:Binding constant for TAOK1 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetMyotonin-protein kinase(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  610nMAssay Description:Binding constant for DMPK kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase DCLK3(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  620nMAssay Description:Binding constant for DCAMKL3 kinase domainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/19/2012
Entry Details Article
PubMed
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