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PubMed code 10753466

Compile data set for download or QSAR
Found 15 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
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7576
PNG
(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H24ClN5O/c1-5-21(4,28)11-10-17-25-19(23-12-15-6-8-16(22)9-7-15)18-20(26-17)27(13-24-18)14(2)3/h6-9,13-14,28H,5,12H2,1-4H3,(H,23,25,26)
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n/an/a 60n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7584
PNG
(1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...)
Show SMILES CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H22ClN5O/c1-5-20(4,27)10-9-16-24-18(23-15-8-6-7-14(21)11-15)17-19(25-16)26(12-22-17)13(2)3/h6-8,11-13,27H,5H2,1-4H3,(H,23,24,25)
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n/an/a 60n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7579
PNG
(1-(6-{[4-(dimethylamino)benzyl]amino}-9-isopropyl-...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C23H30N6O/c1-7-23(4,30)13-12-19-26-21(20-22(27-19)29(15-25-20)16(2)3)24-14-17-8-10-18(11-9-17)28(5)6/h8-11,15-16,30H,7,14H2,1-6H3,(H,24,26,27)
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n/an/a 150n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7574
PNG
(1-(6-{[(4-ethoxyphenyl)methyl]amino}-9-(propan-2-y...)
Show SMILES CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
Show InChI InChI=1S/C23H29N5O2/c1-6-23(5,29)13-12-19-26-21(20-22(27-19)28(15-25-20)16(3)4)24-14-17-8-10-18(11-9-17)30-7-2/h8-11,15-16,29H,6-7,14H2,1-5H3,(H,24,26,27)
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n/an/a 180n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7581
PNG
(1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...)
Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25)
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n/an/a 200n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7555
PNG
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25)
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n/an/a 200n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7583
PNG
(1-{6-[(3,4-dichlorophenyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H21Cl2N5O/c1-5-20(4,28)9-8-16-25-18(24-13-6-7-14(21)15(22)10-13)17-19(26-16)27(11-23-17)12(2)3/h6-7,10-12,28H,5H2,1-4H3,(H,24,25,26)
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n/an/a 200n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7582
PNG
(1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...)
Show SMILES CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
Show InChI InChI=1S/C22H27N5O2/c1-6-22(5,28)13-12-18-25-20(19-21(26-18)27(14-23-19)15(3)4)24-16-8-10-17(11-9-16)29-7-2/h8-11,14-15,28H,6-7H2,1-5H3,(H,24,25,26)
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n/an/a 200n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7577
PNG
(1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H25N5O3/c1-5-22(4,28)9-8-18-25-20(19-21(26-18)27(12-24-19)14(2)3)23-11-15-6-7-16-17(10-15)30-13-29-16/h6-7,10,12,14,28H,5,11,13H2,1-4H3,(H,23,25,26)
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n/an/a 200n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7573
PNG
(1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C22H27N5O2/c1-6-22(4,28)12-11-18-25-20(19-21(26-18)27(14-24-19)15(2)3)23-13-16-7-9-17(29-5)10-8-16/h7-10,14-15,28H,6,13H2,1-5H3,(H,23,25,26)
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n/an/a 230n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7578
PNG
(1-(6-{[(3,4-dimethoxyphenyl)methyl]amino}-9-(propa...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C23H29N5O3/c1-7-23(4,29)11-10-19-26-21(20-22(27-19)28(14-25-20)15(2)3)24-13-16-8-9-17(30-5)18(12-16)31-6/h8-9,12,14-15,29H,7,13H2,1-6H3,(H,24,26,27)
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n/an/a 300n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7580
PNG
(1-(6-anilino-9-isopropyl-9H-purin-2-yl)-3-methylpe...)
Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H23N5O/c1-5-20(4,26)12-11-16-23-18(22-15-9-7-6-8-10-15)17-19(24-16)25(13-21-17)14(2)3/h6-10,13-14,26H,5H2,1-4H3,(H,22,23,24)
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n/an/a 400n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7575
PNG
(1-(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(propan...)
Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H23Cl2N5O/c1-5-21(4,29)9-8-17-26-19(18-20(27-17)28(12-25-18)13(2)3)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13,29H,5,11H2,1-4H3,(H,24,26,27)
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n/an/a 430n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM7585
PNG
((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...)
Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)
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n/an/a 650n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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n/an/a 7.00E+3n/an/an/an/a7.230



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


J Med Chem 43: 1282-92 (2000)


Article DOI: 10.1021/jm9911130
BindingDB Entry DOI: 10.7270/Q2K935R2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%