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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2-associated protein 1' 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
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243151
PNG
((S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(pyridin-4-yl...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccncc1
Show InChI InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-2-1-5-19-9-11)8-13(24-15)10-3-6-18-7-4-10/h3-4,6-8,11,19H,1-2,5,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243102
PNG
((S)-1-(5-(4-(methylsulfonyl)phenyl)-3-(piperidin-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C18H22N4O4S2/c1-28(25,26)13-6-4-11(5-7-13)15-9-14(17(27-15)22-18(19)24)16(23)21-12-3-2-8-20-10-12/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50242824
PNG
((S)-1-(5-(4-fluorophenyl)-3-(piperidin-3-ylcarbamo...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-5-3-10(4-6-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243150
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(pyridin-3-yl...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccnc1
Show InChI InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-4-2-6-19-9-11)7-13(24-15)10-3-1-5-18-8-10/h1,3,5,7-8,11,19H,2,4,6,9H2,(H,20,22)(H3,17,21,23)/t11-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50242820
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-(2-(diethy...)
Show SMILES CCN(CC)CCOc1cccc(c1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)11-12-31-18-9-5-7-16(13-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-8-6-10-25-15-17/h5,7,9,13-14,17,25H,3-4,6,8,10-12,15H2,1-2H3,(H,26,29)(H3,24,27,30)/t17-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243049
PNG
((S)-1-(5-(4-cyanophenyl)-3-(piperidin-3-ylcarbamoy...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(17(26-15)23-18(20)25)16(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243203
PNG
((S)-1-(5-(4-(dimethylcarbamoyl)phenyl)-3-(piperidi...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C20H25N5O3S/c1-25(2)19(27)13-7-5-12(6-8-13)16-10-15(18(29-16)24-20(21)28)17(26)23-14-4-3-9-22-11-14/h5-8,10,14,22H,3-4,9,11H2,1-2H3,(H,23,26)(H3,21,24,28)/t14-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243046
PNG
((S)-1-(5-(4-chlorophenyl)-3-(piperidin-3-ylcarbamo...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H19ClN4O2S/c18-11-5-3-10(4-6-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243531
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)12-13-31-18-9-7-16(8-10-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-6-5-11-25-15-17/h7-10,14,17,25H,3-6,11-13,15H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 4.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243258
PNG
((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243149
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-3-y...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccsc1
Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-11(6-12(23-14)9-3-5-22-8-9)13(20)18-10-2-1-4-17-7-10/h3,5-6,8,10,17H,1-2,4,7H2,(H,18,20)(H3,16,19,21)/t10-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243050
PNG
((S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(4-(trifluoro...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O2S/c19-18(20,21)11-5-3-10(4-6-11)14-8-13(16(28-14)25-17(22)27)15(26)24-12-2-1-7-23-9-12/h3-6,8,12,23H,1-2,7,9H2,(H,24,26)(H3,22,25,27)/t12-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243048
PNG
((S)-1-(3-(piperidin-3-ylcarbamoyl)-5-p-tolylthioph...)
Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C18H22N4O2S/c1-11-4-6-12(7-5-11)15-9-14(17(25-15)22-18(19)24)16(23)21-13-3-2-8-20-10-13/h4-7,9,13,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t13-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243148
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-2-y...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-10(7-12(23-14)11-4-2-6-22-11)13(20)18-9-3-1-5-17-8-9/h2,4,6-7,9,17H,1,3,5,8H2,(H,18,20)(H3,16,19,21)/t9-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50242823
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-fluorophen...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1
Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243099
PNG
((S)-1-(5-(4-(dimethylamino)phenyl)-3-(piperidin-3-...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C19H25N5O2S/c1-24(2)14-7-5-12(6-8-14)16-10-15(18(27-16)23-19(20)26)17(25)22-13-4-3-9-21-11-13/h5-8,10,13,21H,3-4,9,11H2,1-2H3,(H,22,25)(H3,20,23,26)/t13-/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50242893
PNG
(1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-chlorophen...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN4O2S/c18-11-4-1-3-10(7-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50242821
PNG
((S)-1-(5-(4-hydroxyphenyl)-3-(piperidin-3-ylcarbam...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3S/c18-17(24)21-16-13(15(23)20-11-2-1-7-19-9-11)8-14(25-16)10-3-5-12(22)6-4-10/h3-6,8,11,19,22H,1-2,7,9H2,(H,20,23)(H3,18,21,24)/t11-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243261
PNG
((S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(4-(piperidin...)
Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C23H29N5O3S/c24-23(31)27-21-18(20(29)26-17-5-4-10-25-14-17)13-19(32-21)15-6-8-16(9-7-15)22(30)28-11-2-1-3-12-28/h6-9,13,17,25H,1-5,10-12,14H2,(H,26,29)(H3,24,27,31)/t17-/m0/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243666
PNG
((+/-)-1-(5-(3-(2-(diethylamino)ethoxy)phenyl)-3-(p...)
Show SMILES CCN(CC)CCOc1cccc(c1)-c1cc(C(=O)NC2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)11-12-31-18-9-5-7-16(13-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-8-6-10-25-15-17/h5,7,9,13-14,17,25H,3-4,6,8,10-12,15H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 2.70E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243472
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(pyridin...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccnc2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H27N5O3S/c1-3-28(4-2)12-13-31-18-9-7-16(8-10-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-6-5-11-25-15-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 4.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243530
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNCC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)13-14-31-18-7-5-16(6-8-18)20-15-19(22(32-20)27-23(24)30)21(29)26-17-9-11-25-12-10-17/h5-8,15,17,25H,3-4,9-14H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a>6.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243332
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-((3-(hyd...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccc(CO)c2)c(NC(N)=O)s1
Show InChI InChI=1S/C25H30N4O4S/c1-3-29(4-2)12-13-33-20-10-8-18(9-11-20)22-15-21(24(34-22)28-25(26)32)23(31)27-19-7-5-6-17(14-19)16-30/h5-11,14-15,30H,3-4,12-13,16H2,1-2H3,(H,27,31)(H3,26,28,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243473
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(pyrroli...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C22H31N5O3S/c1-3-27(4-2)11-12-30-17-7-5-15(6-8-17)19-13-18(21(31-19)26-22(23)29)20(28)25-16-9-10-24-14-16/h5-8,13,16,24H,3-4,9-12,14H2,1-2H3,(H,25,28)(H3,23,26,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Citation and Details
More data for this
Ligand-Target Pair