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PubMed code 19115845

Compile data set for download or QSAR
Found 39 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
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27359
PNG
(7-ethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,...)
Show SMILES CCC1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C14H15N3O/c1-2-9-8-16-14(18)11-7-12(17-13(9)11)10-3-5-15-6-4-10/h3-7,9,17H,2,8H2,1H3,(H,16,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27371
PNG
(2-(2-aminopyrimidin-4-yl)-7,7-dimethyl-1H,4H,5H,6H...)
Show SMILES CC1(C)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C13H15N5O/c1-13(2)6-16-11(19)7-5-9(17-10(7)13)8-3-4-15-12(14)18-8/h3-5,17H,6H2,1-2H3,(H,16,19)(H2,14,15,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27362
PNG
(7-(2-fluoroethyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-...)
Show SMILES FCCC1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C14H14FN3O/c15-4-1-10-8-17-14(19)11-7-12(18-13(10)11)9-2-5-16-6-3-9/h2-3,5-7,10,18H,1,4,8H2,(H,17,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27380
PNG
((7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@@H](CCF)CNC2=O |r|
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27363
PNG
(7,7-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...)
Show SMILES CC1(C)CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C14H15N3O/c1-14(2)8-16-13(18)10-7-11(17-12(10)14)9-3-5-15-6-4-9/h3-7,17H,8H2,1-2H3,(H,16,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27348
PNG
(6-(2-methylpropyl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H...)
Show SMILES CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C16H19N3O/c1-10(2)7-12-8-15-13(16(20)18-12)9-14(19-15)11-3-5-17-6-4-11/h3-6,9-10,12,19H,7-8H2,1-2H3,(H,18,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27370
PNG
(2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCF)CNC2=O
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27361
PNG
(7-cyclobutyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...)
Show SMILES O=C1NCC(C2CCC2)c2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C16H17N3O/c20-16-12-8-14(11-4-6-17-7-5-11)19-15(12)13(9-18-16)10-2-1-3-10/h4-8,10,13,19H,1-3,9H2,(H,18,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27368
PNG
(2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H...)
Show SMILES CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C14H17N5O/c1-7(2)9-6-17-13(20)8-5-11(18-12(8)9)10-3-4-16-14(15)19-10/h3-5,7,9,18H,6H2,1-2H3,(H,17,20)(H2,15,16,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27377
PNG
(2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)-1H,4H...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCO)CNC2=O
Show InChI InChI=1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27372
PNG
(2-(2-aminopyrimidin-4-yl)-7,7-diethyl-1H,4H,5H,6H,...)
Show SMILES CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C15H19N5O/c1-3-15(4-2)8-18-13(21)9-7-11(19-12(9)15)10-5-6-17-14(16)20-10/h5-7,19H,3-4,8H2,1-2H3,(H,18,21)(H2,16,17,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27367
PNG
(2-(2-aminopyrimidin-4-yl)-7-ethyl-1H,4H,5H,6H,7H-p...)
Show SMILES CCC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C13H15N5O/c1-2-7-6-16-12(19)8-5-10(17-11(7)8)9-3-4-15-13(14)18-9/h3-5,7,17H,2,6H2,1H3,(H,16,19)(H2,14,15,18)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27379
PNG
((7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@H](CCF)CNC2=O |r|
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m1/s1
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27347
PNG
(6-cyclopropyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrr...)
Show SMILES O=C1NC(Cc2[nH]c(cc12)-c1ccncc1)C1CC1
Show InChI InChI=1S/C15H15N3O/c19-15-11-7-12(10-3-5-16-6-4-10)17-14(11)8-13(18-15)9-1-2-9/h3-7,9,13,17H,1-2,8H2,(H,18,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27369
PNG
(2-(2-aminopyrimidin-4-yl)-7-cyclobutyl-1H,4H,5H,6H...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CNC2=O)C1CCC1
Show InChI InChI=1S/C15H17N5O/c16-15-17-5-4-11(20-15)12-6-9-13(19-12)10(7-18-14(9)21)8-2-1-3-8/h4-6,8,10,19H,1-3,7H2,(H,18,21)(H2,16,17,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27346
PNG
(6-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-py...)
Show SMILES CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C15H17N3O/c1-9(2)12-8-14-11(15(19)18-12)7-13(17-14)10-3-5-16-6-4-10/h3-7,9,12,17H,8H2,1-2H3,(H,18,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27364
PNG
(7,7-diethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrol...)
Show SMILES CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C16H19N3O/c1-3-16(4-2)10-18-15(20)12-9-13(19-14(12)16)11-5-7-17-8-6-11/h5-9,19H,3-4,10H2,1-2H3,(H,18,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27366
PNG
(2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-...)
Show SMILES CC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
Show InChI InChI=1S/C12H13N5O/c1-6-5-15-11(18)7-4-9(16-10(6)7)8-2-3-14-12(13)17-8/h2-4,6,16H,5H2,1H3,(H,15,18)(H2,13,14,17)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27375
PNG
(2-(2-aminopyrimidin-4-yl)-7-[2-(benzyloxy)ethyl]-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCOCc1ccccc1)CNC2=O
Show InChI InChI=1S/C20H21N5O2/c21-20-22-8-6-16(25-20)17-10-15-18(24-17)14(11-23-19(15)26)7-9-27-12-13-4-2-1-3-5-13/h1-6,8,10,14,24H,7,9,11-12H2,(H,23,26)(H2,21,22,25)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27351
PNG
(2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27355
PNG
(2-(2-aminopyrimidin-4-yl)-6-(2-methylpropyl)-1H,4H...)
Show SMILES CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H19N5O/c1-8(2)5-9-6-12-10(14(21)18-9)7-13(19-12)11-3-4-17-15(16)20-11/h3-4,7-9,19H,5-6H2,1-2H3,(H,18,21)(H2,16,17,20)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27360
PNG
(7-(propan-2-yl)-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-py...)
Show SMILES CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C15H17N3O/c1-9(2)12-8-17-15(19)11-7-13(18-14(11)12)10-3-5-16-6-4-10/h3-7,9,12,18H,8H2,1-2H3,(H,17,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 10n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27374
PNG
(2-(2-aminopyrimidin-4-yl)-7-(3,3,3-trifluoropropyl...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCC(F)(F)F)CNC2=O
Show InChI InChI=1S/C14H14F3N5O/c15-14(16,17)3-1-7-6-20-12(23)8-5-10(21-11(7)8)9-2-4-19-13(18)22-9/h2,4-5,7,21H,1,3,6H2,(H,20,23)(H2,18,19,22)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27358
PNG
(7-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES CC1CNC(=O)c2cc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C13H13N3O/c1-8-7-15-13(17)10-6-11(16-12(8)10)9-2-4-14-5-3-9/h2-6,8,16H,7H2,1H3,(H,15,17)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27354
PNG
(2-(2-aminopyrimidin-4-yl)-6-cyclopropyl-1H,4H,5H,6...)
Show SMILES Nc1nccc(n1)-c1cc2c(CC(NC2=O)C2CC2)[nH]1
Show InChI InChI=1S/C14H15N5O/c15-14-16-4-3-9(19-14)12-5-8-11(17-12)6-10(7-1-2-7)18-13(8)20/h3-5,7,10,17H,1-2,6H2,(H,18,20)(H2,15,16,19)
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n/an/a 11n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27353
PNG
(2-(2-aminopyrimidin-4-yl)-6-(propan-2-yl)-1H,4H,5H...)
Show SMILES CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
Show InChI InChI=1S/C14H17N5O/c1-7(2)10-6-11-8(13(20)18-10)5-12(17-11)9-3-4-16-14(15)19-9/h3-5,7,10,17H,6H2,1-2H3,(H,18,20)(H2,15,16,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27378
PNG
(2-(2-aminopyrimidin-4-yl)-7-(3-hydroxypropyl)-1H,4...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCCO)CNC2=O
Show InChI InChI=1S/C14H17N5O2/c15-14-16-4-3-10(19-14)11-6-9-12(18-11)8(2-1-5-20)7-17-13(9)21/h3-4,6,8,18,20H,1-2,5,7H2,(H,17,21)(H2,15,16,19)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27345
PNG
(6-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C13H13N3O/c1-8-6-12-10(13(17)15-8)7-11(16-12)9-2-4-14-5-3-9/h2-5,7-8,16H,6H2,1H3,(H,15,17)
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n/an/a 13n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27373
PNG
(2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CNC2=O)c1ccccc1
Show InChI InChI=1S/C17H15N5O/c18-17-19-7-6-13(22-17)14-8-11-15(21-14)12(9-20-16(11)23)10-4-2-1-3-5-10/h1-8,12,21H,9H2,(H,20,23)(H2,18,19,22)
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n/an/a 19n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27365
PNG
(7-phenyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES O=C1NCC(c2[nH]c(cc12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-10-16(13-6-8-19-9-7-13)21-17(14)15(11-20-18)12-4-2-1-3-5-12/h1-10,15,21H,11H2,(H,20,22)
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n/an/a 20n/an/an/an/a7.925



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27376
PNG
(2-(2-aminopyrimidin-4-yl)-7-[3-(benzyloxy)propyl]-...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)C(CCCOCc1ccccc1)CNC2=O
Show InChI InChI=1S/C21H23N5O2/c22-21-23-9-8-17(26-21)18-11-16-19(25-18)15(12-24-20(16)27)7-4-10-28-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,25H,4,7,10,12-13H2,(H,24,27)(H2,22,23,26)
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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27352
PNG
(2-(2-aminopyrimidin-4-yl)-6-methyl-1H,4H,5H,6H,7H-...)
Show SMILES CC1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
Show InChI InChI=1S/C12H13N5O/c1-6-4-9-7(11(18)15-6)5-10(16-9)8-2-3-14-12(13)17-8/h2-3,5-6,16H,4H2,1H3,(H,15,18)(H2,13,14,17)
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n/an/a 26n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM27380
PNG
((7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@@H](CCF)CNC2=O |r|
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27349
PNG
(6,6-dimethyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrro...)
Show SMILES CC1(C)Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
Show InChI InChI=1S/C14H15N3O/c1-14(2)8-12-10(13(18)17-14)7-11(16-12)9-3-5-15-6-4-9/h3-7,16H,8H2,1-2H3,(H,17,18)
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n/an/a 32n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27350
PNG
(6-[(benzyloxy)methyl]-2-(pyridin-4-yl)-1H,4H,5H,6H...)
Show SMILES O=C1NC(COCc2ccccc2)Cc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C20H19N3O2/c24-20-17-11-18(15-6-8-21-9-7-15)23-19(17)10-16(22-20)13-25-12-14-4-2-1-3-5-14/h1-9,11,16,23H,10,12-13H2,(H,22,24)
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n/an/a 44n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27357
PNG
(2-(2-aminopyrimidin-4-yl)-6-[(benzyloxy)methyl]-1H...)
Show SMILES Nc1nccc(n1)-c1cc2c(CC(COCc3ccccc3)NC2=O)[nH]1
Show InChI InChI=1S/C19H19N5O2/c20-19-21-7-6-15(24-19)17-9-14-16(23-17)8-13(22-18(14)25)11-26-10-12-4-2-1-3-5-12/h1-7,9,13,23H,8,10-11H2,(H,22,25)(H2,20,21,24)
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n/an/a 52n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cdc7 Kinase


(Homo sapiens (Human))
BDBM27356
PNG
(2-(2-aminopyrimidin-4-yl)-6,6-dimethyl-1H,4H,5H,6H...)
Show SMILES CC1(C)Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
Show InChI InChI=1S/C13H15N5O/c1-13(2)6-10-7(11(19)18-13)5-9(16-10)8-3-4-15-12(14)17-8/h3-5,16H,6H2,1-2H3,(H,18,19)(H2,14,15,17)
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n/an/a 64n/an/an/an/a7.925



Nerviano Medical Sciences Srl



Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM27379
PNG
((7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1...)
Show SMILES Nc1nccc(n1)-c1cc2c([nH]1)[C@H](CCF)CNC2=O |r|
Show InChI InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



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Assay Description
The potency of the compound toward kinase activity was determined using a Dowex resin-based assay. The substrate was phosphorylated by kinase in the ...


J Med Chem 52: 293-307 (2009)


Article DOI: 10.1021/jm800977q
BindingDB Entry DOI: 10.7270/Q27W69JX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%