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PubMed code 21413800

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.330n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.390n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.470n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393111
PNG
(CHEMBL2153261)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C10H8N4S/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 0.570n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 0.790n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 1.20n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 1.60n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 1.70n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 2n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393115
PNG
(CHEMBL575945)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H11N5/c15-14-18-11-5-6-16-12(13(11)19-14)9-7-17-10-4-2-1-3-8(9)10/h1-7,17H,(H3,15,18,19)
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n/an/a 2.80n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50393111
PNG
(CHEMBL2153261)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C10H8N4S/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 3n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 3.20n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393112
PNG
(CHEMBL2153263)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccsc1
Show InChI InChI=1S/C10H8N4S/c11-10-13-7-1-3-12-8(9(7)14-10)6-2-4-15-5-6/h1-5H,(H3,11,13,14)
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n/an/a 6.40n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 10n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 12n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50393112
PNG
(CHEMBL2153263)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccsc1
Show InChI InChI=1S/C10H8N4S/c11-10-13-7-1-3-12-8(9(7)14-10)6-2-4-15-5-6/h1-5H,(H3,11,13,14)
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n/an/a 19n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PIM1 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393113
PNG
(CHEMBL2153265)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-3-5-14-9(10(8)16-11)7-2-1-4-13-6-7/h1-6H,(H3,12,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393112
PNG
(CHEMBL2153263)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccsc1
Show InChI InChI=1S/C10H8N4S/c11-10-13-7-1-3-12-8(9(7)14-10)6-2-4-15-5-6/h1-5H,(H3,11,13,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393112
PNG
(CHEMBL2153263)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccsc1
Show InChI InChI=1S/C10H8N4S/c11-10-13-7-1-3-12-8(9(7)14-10)6-2-4-15-5-6/h1-5H,(H3,11,13,14)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393115
PNG
(CHEMBL575945)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H11N5/c15-14-18-11-5-6-16-12(13(11)19-14)9-7-17-10-4-2-1-3-8(9)10/h1-7,17H,(H3,15,18,19)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393114
PNG
(CHEMBL2153267)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H10N4/c13-12-15-9-6-7-14-10(11(9)16-12)8-4-2-1-3-5-8/h1-7H,(H3,13,15,16)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393114
PNG
(CHEMBL2153267)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H10N4/c13-12-15-9-6-7-14-10(11(9)16-12)8-4-2-1-3-5-8/h1-7H,(H3,13,15,16)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PIM1 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393111
PNG
(CHEMBL2153261)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C10H8N4S/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Sus scrofa)
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50393115
PNG
(CHEMBL575945)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H11N5/c15-14-18-11-5-6-16-12(13(11)19-14)9-7-17-10-4-2-1-3-8(9)10/h1-7,17H,(H3,15,18,19)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PIM1 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393113
PNG
(CHEMBL2153265)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-3-5-14-9(10(8)16-11)7-2-1-4-13-6-7/h1-6H,(H3,12,15,16)
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n/an/a 6.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50393111
PNG
(CHEMBL2153261)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C10H8N4S/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 2.40E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to ULK1


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
CaM kinase II


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to CAMK2G


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 350n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to PIK4CB


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 32B


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to YANK2


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 290n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to DYRK1A


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 5


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to CDKL5


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 7.50E+3n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to CDK7


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 300n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to DYRK1A


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 160n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to PIK3C2G


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
CaM-kinase kinase alpha


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to CAMKK1


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
CaM-kinase kinase beta


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to CAMKK2


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to PRKCE


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 290n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to JH domain of TYK2


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
SPS1/STE20-related protein kinase YSK4


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 220n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to YSK4


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to CLK2


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 1.50E+3n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to AAK1


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (BMPR1B)


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 720n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to BMPR1B


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50393109
PNG
(CHEMBL2153264)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccccn1
Show InChI InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)
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n/an/an/a 530n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal kinase domain 2 of RPS6KA1


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 3


(Homo sapiens (Human))
BDBM50393108
PNG
(CHEMBL2153266)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C15H11N5/c16-15-19-12-5-6-17-13(14(12)20-15)10-7-9-3-1-2-4-11(9)18-8-10/h1-8H,(H3,16,19,20)
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n/an/an/a 8.90E+3n/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Binding affinity to IRAK3


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%