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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'CDK3/cyclin E' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
CDK3/Cyclin E


(Homo sapiens (human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E/CDK2


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59097
PNG
(Aminopyrimidine, 10)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C19H23N7S/c1-13-17(27-19(20-2)23-13)16-7-8-22-18(25-16)24-14-3-5-15(6-4-14)26-11-9-21-10-12-26/h3-8,21H,9-12H2,1-2H3,(H,20,23)(H,22,24,25)
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n/an/a 220n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM50319624
PNG
(Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20)
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n/an/a 230n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59092
PNG
(Aminopyrimidine, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1
Show InChI InChI=1S/C17H20N6S/c1-3-19-17-21-11(2)15(24-17)14-7-8-20-16(23-14)22-13-6-4-5-12(9-13)10-18/h4-9H,3,10,18H2,1-2H3,(H,19,21)(H,20,22,23)
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n/an/a 330n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59091
PNG
(Aminopyrimidine, 1)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)
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n/an/a 410n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59093
PNG
(Aminopyrimidine, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1
Show InChI InChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)
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n/an/a 430n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59095
PNG
(Aminopyrimidine, 7)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C20H24N6S/c1-14-19(27-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H,21,23,24)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59094
PNG
(Aminopyrimidine, 6)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N6S/c1-13-18(26-14(2)22-13)17-7-8-21-19(24-17)23-15-3-5-16(6-4-15)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,23,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM50319619
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair
CDK3/Cyclin E


(Homo sapiens (human))
BDBM59096
PNG
(Aminopyrimidine, 8)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1
Show InChI InChI=1S/C21H26N6OS/c1-15-20(29-16(2)23-15)19-7-8-22-21(25-19)24-17-3-5-18(6-4-17)27-11-9-26(10-12-27)13-14-28/h3-8,28H,9-14H2,1-2H3,(H,22,24,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Citation and Details
More data for this
Ligand-Target Pair