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(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N

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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 458 hits for monomerid = 12621   

TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Hoffmann-La Roche

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Hoffmann-La Roche

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Mizoram University

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 DepthDetails PubMed
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Mizoram University

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 DepthDetails PubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Mizoram University

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 DepthDetails PubMed
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Mizoram University

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 DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Mizoram University

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
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Hoffmann-La Roche

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
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Mizoram University

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
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  1.40E+3nMAssay Description:Binding constant for CAMKK2 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-6(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Mizoram University

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 DepthDetails ArticlePubMed
TargetFibroblast growth factor receptor 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for FGFR3 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase Chk1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for CHEK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for FLT4 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInhibitor of nuclear factor kappa-B kinase subunit alpha(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for IKK-alpha kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein kinase C eta type(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PRKCH kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(H396P)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(F317L)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for FLT3(D835H) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase D2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PRKD2 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibosomal protein S6 kinase alpha-1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(F317I)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase TNNI3K(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  3.80E+3nMAssay Description:Binding constant for TNNI3K kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCalcium/calmodulin-dependent protein kinase type II subunit beta(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  890nMAssay Description:Binding constant for CAMK2B kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EGFR(L858R,T790M) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(E545K) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for FLT3 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(F317I)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase BRSK1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for BRSK1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  9.30E+3nMAssay Description:Binding constant for EGFR(G719S) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcGMP-dependent protein kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PRKG1 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(Y253F)-phosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1(Q252H)-nonphosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for RET kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMisshapen-like kinase 1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for MINK kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase MRCK gamma(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for DMPK2 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEphrin type-A receptor 6(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for EPHA6 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for KIT(V559D) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage-stimulating protein receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for MST1R kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase B(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for AURKB kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 receptor-associated kinase 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for IRAK3 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for KIT(D816H) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMAP/microtubule affinity-regulating kinase 3(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for MARK3 kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for TYK2(JH1domain-catalytic) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for PIK3CA(H1047Y) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  6.40E+3nMAssay Description:Binding constant for EGFR(S752-I759del) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd:  9.10E+3nMAssay Description:Binding constant for EGFR(L858R) kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM12621(2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...)
Affinity DataKd: >1.00E+4nMAssay Description:Binding constant for ABL1-phosphorylated kinase domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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