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Compile Data Set for Download or QSAR

Found 637 hits Enz. Inhib. hit(s) with Target = 'CDK2/Cyclin A/Cyclin A1'   
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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50003691
PNG
(CHEMBL567624)
Show SMILES Cl.CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H30N8S.ClH/c1-15(2)32-14-28-20-21(26-12-19-13-27-23(33-19)16-6-4-3-5-7-16)30-24(31-22(20)32)29-18-10-8-17(25)9-11-18;/h3-7,13-15,17-18H,8-12,25H2,1-2H3,(H2,26,29,30,31);1H/t17-,18-;
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n/an/a<0.0500n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378292
PNG
(CHEMBL566106)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H30N10/c1-15(2)32-14-27-20-21(26-13-16-4-9-19(25-12-16)33-11-3-10-28-33)30-23(31-22(20)32)29-18-7-5-17(24)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,24H2,1-2H3,(H2,26,29,30,31)/t17-,18-
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n/an/a 0.0700n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378290
PNG
(CHEMBL568310)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H31FN8/c1-16(2)35-15-31-23-24(33-26(34-25(23)35)32-21-9-7-20(28)8-10-21)30-14-17-6-11-22(29-13-17)18-4-3-5-19(27)12-18/h3-6,11-13,15-16,20-21H,7-10,14,28H2,1-2H3,(H2,30,32,33,34)/t20-,21-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378288
PNG
(CHEMBL567434)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H31N9/c1-16(2)34-15-30-22-23(32-25(33-24(22)34)31-19-9-7-18(26)8-10-19)29-14-17-6-11-21(28-13-17)20-5-3-4-12-27-20/h3-6,11-13,15-16,18-19H,7-10,14,26H2,1-2H3,(H2,29,31,32,33)/t18-,19-
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n/an/a 0.0900n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378305
PNG
(CHEMBL583417)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3nc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H30N8S2/c1-13(2)31-12-26-19-20(25-10-17-8-9-18(33-17)22-27-14(3)11-32-22)29-23(30-21(19)31)28-16-6-4-15(24)5-7-16/h8-9,11-13,15-16H,4-7,10,24H2,1-3H3,(H2,25,28,29,30)/t15-,16-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378304
PNG
(CHEMBL568080)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-12-16-3-8-20(26-11-16)17-9-10-33-13-17)30-24(31-23(21)32)29-19-6-4-18(25)5-7-19/h3,8-11,13-15,18-19H,4-7,12,25H2,1-2H3,(H2,27,29,30,31)/t18-,19-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378289
PNG
(CHEMBL565705)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-11-9-20(27)10-12-21)29-15-18-8-13-22(28-14-18)19-6-4-3-5-7-19/h3-8,13-14,16-17,20-21H,9-12,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378297
PNG
(CHEMBL566105)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-14-17-5-7-18(8-6-17)21-4-3-13-33-21)30-25(31-24(22)32)29-20-11-9-19(26)10-12-20/h3-8,13,15-16,19-20H,9-12,14,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378306
PNG
(CHEMBL567647)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H31N9/c1-16(2)32-15-27-21-22(26-14-17-4-10-20(11-5-17)33-13-3-12-28-33)30-24(31-23(21)32)29-19-8-6-18(25)7-9-19/h3-5,10-13,15-16,18-19H,6-9,14,25H2,1-2H3,(H2,26,29,30,31)/t18-,19-
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n/an/a 0.140n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378293
PNG
(CHEMBL566550)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H29N7S2/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29)/t15-,16-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378298
PNG
(CHEMBL583421)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H31N7O/c1-16(2)32-15-28-22-23(27-14-17-5-7-18(8-6-17)21-4-3-13-33-21)30-25(31-24(22)32)29-20-11-9-19(26)10-12-20/h3-8,13,15-16,19-20H,9-12,14,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378302
PNG
(CHEMBL583615)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccco3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H29N7OS/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29)/t15-,16-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378303
PNG
(CHEMBL567208)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-19-9-10-20(33-19)16-4-3-11-26-12-16)30-24(31-23(21)32)29-18-7-5-17(25)6-8-18/h3-4,9-12,14-15,17-18H,5-8,13,25H2,1-2H3,(H2,27,29,30,31)/t17-,18-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378309
PNG
(CHEMBL568093)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-n3cccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H32N8/c1-17(2)33-16-28-22-23(27-15-18-5-11-21(12-6-18)32-13-3-4-14-32)30-25(31-24(22)33)29-20-9-7-19(26)8-10-20/h3-6,11-14,16-17,19-20H,7-10,15,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378300
PNG
(CHEMBL565930)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-12-10-20(27)11-13-21)29-15-18-6-8-19(9-7-18)22-5-3-4-14-28-22/h3-9,14,16-17,20-21H,10-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378299
PNG
(CHEMBL568079)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H30FN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-8-6-18(27)7-9-19)28-13-20-10-11-21(34-20)16-4-3-5-17(26)12-16/h3-5,10-12,14-15,18-19H,6-9,13,27H2,1-2H3,(H2,28,30,31,32)/t18-,19-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378296
PNG
(CHEMBL568510)
Show SMILES CC(C)n1cnc2c(NCc3csc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378313
PNG
(CHEMBL567626)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H29N7S2/c1-14(2)30-13-26-20-21(25-11-18-7-8-19(32-18)15-9-10-31-12-15)28-23(29-22(20)30)27-17-5-3-16(24)4-6-17/h7-10,12-14,16-17H,3-6,11,24H2,1-2H3,(H2,25,27,28,29)/t16-,17-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378307
PNG
(CHEMBL566329)
Show SMILES CC(C)n1cnc2c(NCc3coc(c3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H31N7O/c1-16(2)32-15-28-22-23(27-13-17-12-21(33-14-17)18-6-4-3-5-7-18)30-25(31-24(22)32)29-20-10-8-19(26)9-11-20/h3-7,12,14-16,19-20H,8-11,13,26H2,1-2H3,(H2,27,29,30,31)/t19-,20-
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AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378294
PNG
(CHEMBL566972)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-22-11-9-21(27)10-12-22)29-14-18-5-7-19(8-6-18)20-4-3-13-28-15-20/h3-8,13,15-17,21-22H,9-12,14,27H2,1-2H3,(H2,29,31,32,33)/t21-,22-
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n/an/a 0.300n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378301
PNG
(CHEMBL568311)
Show SMILES COc1cccc(c1)-c1ccc(CNc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)C(C)C)s1
Show InChI InChI=1S/C26H33N7OS/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-19-9-7-18(27)8-10-19)28-14-21-11-12-22(35-21)17-5-4-6-20(13-17)34-3/h4-6,11-13,15-16,18-19H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)/t18-,19-
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n/an/a 0.300n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378212
PNG
(CHEMBL575450)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C27H33N7/c1-18(2)34-17-30-24-25(32-27(33-26(24)34)31-23-14-12-22(28)13-15-23)29-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,22-23H,12-16,28H2,1-2H3,(H2,29,31,32,33)/t22-,23-
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n/an/a 0.400n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378308
PNG
(CHEMBL568509)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-13-17-3-5-18(6-4-17)19-11-12-33-14-19)30-25(31-24(22)32)29-21-9-7-20(26)8-10-21/h3-6,11-12,14-16,20-21H,7-10,13,26H2,1-2H3,(H2,27,29,30,31)/t20-,21-
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n/an/a 0.400n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378315
PNG
(CHEMBL578865)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(Cl)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H30ClN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-9-7-18(27)8-10-19)28-13-16-3-5-17(6-4-16)20-11-12-21(26)34-20/h3-6,11-12,14-15,18-19H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)/t18-,19-
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n/an/a 0.400n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378295
PNG
(CHEMBL565490)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccc3F)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H30FN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-17-9-7-16(27)8-10-17)28-13-18-11-12-21(34-18)19-5-3-4-6-20(19)26/h3-6,11-12,14-17H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)/t16-,17-
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n/an/a 0.400n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378316
PNG
(CHEMBL568291)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C25H30FN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-9-7-18(27)8-10-19)28-13-20-11-12-21(34-20)16-3-5-17(26)6-4-16/h3-6,11-12,14-15,18-19H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)/t18-,19-
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n/an/a 0.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378310
PNG
(CHEMBL566971)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cc(C)cs3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-21-10-8-20(27)9-11-21)28-13-18-4-6-19(7-5-18)22-12-17(3)14-34-22/h4-7,12,14-16,20-21H,8-11,13,27H2,1-3H3,(H2,28,30,31,32)/t20-,21-
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n/an/a 0.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378317
PNG
(CHEMBL565273)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cn3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-12-9-20(27)10-13-21)29-15-22-11-8-19(14-28-22)18-6-4-3-5-7-18/h3-8,11,14,16-17,20-21H,9-10,12-13,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-
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n/an/a 0.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378314
PNG
(CHEMBL578256)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccoc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H29N7OS/c1-14(2)30-13-26-20-21(25-11-18-7-8-19(32-18)15-9-10-31-12-15)28-23(29-22(20)30)27-17-5-3-16(24)4-6-17/h7-10,12-14,16-17H,3-6,11,24H2,1-2H3,(H2,25,27,28,29)/t16-,17-
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n/an/a 0.600n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378311
PNG
(CHEMBL568301)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-21-11-9-20(27)10-12-21)28-14-18-5-7-19(8-6-18)22-13-4-17(3)34-22/h4-8,13,15-16,20-21H,9-12,14,27H2,1-3H3,(H2,28,30,31,32)/t20-,21-
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n/an/a 0.600n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50179795
PNG
(CHEMBL382690 | PVKRRL-(3-Cl)F-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O
Show InChI InChI=1S/C43H74ClN15O7/c1-24(2)21-33(40(65)57-32(35(46)60)23-26-11-7-12-27(44)22-26)58-39(64)31(16-10-20-53-43(49)50)55-38(63)30(15-9-19-52-42(47)48)54-37(62)29(13-5-6-17-45)56-41(66)34(25(3)4)59-36(61)28-14-8-18-51-28/h7,11-12,22,24-25,28-34,51H,5-6,8-10,13-21,23,45H2,1-4H3,(H2,46,60)(H,54,62)(H,55,63)(H,56,66)(H,57,65)(H,58,64)(H,59,61)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/CyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378318
PNG
(CHEMBL566539)
Show SMILES CC(C)n1cnc2c(NCc3csc(n3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-27-20-21(26-12-19-13-33-23(28-19)16-6-4-3-5-7-16)30-24(31-22(20)32)29-18-10-8-17(25)9-11-18/h3-7,13-15,17-18H,8-12,25H2,1-2H3,(H2,26,29,30,31)/t17-,18-
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n/an/a 0.700n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378312
PNG
(CHEMBL578664)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-20-9-7-19(27)8-10-20)28-14-21-11-12-22(34-21)18-6-4-5-17(3)13-18/h4-6,11-13,15-16,19-20H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)/t19-,20-
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n/an/a 0.700n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378319
PNG
(CHEMBL568303)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)/t17-,18-
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n/an/a 0.900n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50329419
PNG
(5-(2-amino-5-bromopyrimidin-4-yl)-2-p-tolyl-1H-pyr...)
Show SMILES NC(=O)c1cc([nH]c1-c1ccccc1)-c1nc(N)ncc1Br
Show InChI InChI=1S/C15H12BrN5O/c16-10-7-19-15(18)21-13(10)11-6-9(14(17)22)12(20-11)8-4-2-1-3-5-8/h1-7,20H,(H2,17,22)(H2,18,19,21)
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n/an/a<1n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50307546
PNG
(CHEMBL598401 | Ethyl 4-[(3-Carbamoyl-1-methyl-4,5-...)
Show SMILES CCOC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C25H34N8O4/c1-3-37-25(36)33-10-6-15(7-11-33)23(35)32-12-8-17(9-13-32)28-24-27-14-16-4-5-18-20(22(26)34)30-31(2)21(18)19(16)29-24/h14-15,17H,3-13H2,1-2H3,(H2,26,34)(H,27,28,29)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50307543
PNG
(1-Methyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(C)(=O)=O)nc3-c12
Show InChI InChI=1S/C23H32N8O4S/c1-29-20-17(19(28-29)21(24)32)4-3-15-13-25-23(27-18(15)20)26-16-7-9-30(10-8-16)22(33)14-5-11-31(12-6-14)36(2,34)35/h13-14,16H,3-12H2,1-2H3,(H2,24,32)(H,25,26,27)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50378291
PNG
(CHEMBL568302)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-18-10-11-20(33-18)19-5-3-4-12-26-19)30-24(31-23(21)32)29-17-8-6-16(25)7-9-17/h3-5,10-12,14-17H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)/t16-,17-
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n/an/a 1.5n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdk2/cyclinA


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50307507
PNG
(CHEMBL597754 | N-1-Dimethyl-8-{[1-(methylsulfonyl)...)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
Show InChI InChI=1S/C24H34N8O4S/c1-25-22(33)20-18-5-4-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-8-10-31(11-9-17)23(34)15-6-12-32(13-7-15)37(3,35)36/h14-15,17H,4-13H2,1-3H3,(H,25,33)(H,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50318087
PNG
(8-(Phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quin...)
Show SMILES NC(=O)c1[nH]nc-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C16H14N6O/c17-15(23)14-11-7-6-9-8-18-16(19-10-4-2-1-3-5-10)20-12(9)13(11)21-22-14/h1-5,8H,6-7H2,(H2,17,23)(H,21,22)(H,18,19,20)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50117496
PNG
(CHEMBL429171 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-P...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C48H81N17O10/c1-6-27(4)36(45(73)65-37(46(74)75)38(66)29-14-8-7-9-15-29)64-44(72)35(22-26(2)3)63-43(71)34(18-13-21-57-48(53)54)62-42(70)33(17-12-20-56-47(51)52)61-41(69)32(16-10-11-19-49)60-39(67)28(5)59-40(68)31(50)23-30-24-55-25-58-30/h7-9,14-15,24-28,31-38,66H,6,10-13,16-23,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,67)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,73)(H,74,75)(H4,51,52,56)(H4,53,54,57)/t27-,28-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein


Bioorg Med Chem Lett 12: 2501-5 (2002)

More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM31532
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50307535
PNG
(8-[(1-Acetylpiperidin-4-yl)amino]-1-methyl-4,5-dih...)
Show SMILES CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H23N7O2/c1-10(26)25-7-5-12(6-8-25)21-18-20-9-11-3-4-13-15(17(19)27)23-24(2)16(13)14(11)22-18/h9,12H,3-8H2,1-2H3,(H2,19,27)(H,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50318088
PNG
(8-[(3-Acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-...)
Show SMILES CC(=O)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C19H18N6O2/c1-10(26)11-4-3-5-13(8-11)22-19-21-9-12-6-7-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-5,8-9H,6-7H2,1-2H3,(H2,20,27)(H,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50307522
PNG
(8-(Cyclopentylamino)-1-methyl-4,5-dihydro-1H-pyraz...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12
Show InChI InChI=1S/C16H20N6O/c1-22-14-11(13(21-22)15(17)23)7-6-9-8-18-16(20-12(9)14)19-10-4-2-3-5-10/h8,10H,2-7H2,1H3,(H2,17,23)(H,18,19,20)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50318089
PNG
(8-[(4-Acetylphenyl)amino]-1-methyl-4,5-dihydro-1H-...)
Show SMILES CC(=O)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
Show InChI InChI=1S/C19H18N6O2/c1-10(26)11-3-6-13(7-4-11)22-19-21-9-12-5-8-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-4,6-7,9H,5,8H2,1-2H3,(H2,20,27)(H,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50318090
PNG
(1-Methyl-8-{[4-(trifluoromethyl)phenyl]amino}-4,5-...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)C(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H15F3N6O/c1-27-15-12(14(26-27)16(22)28)7-2-9-8-23-17(25-13(9)15)24-11-5-3-10(4-6-11)18(19,20)21/h3-6,8H,2,7H2,1H3,(H2,22,28)(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50318080
PNG
(1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4...)
Show SMILES Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H15N5O2/c1-22-15-12(14(21-22)16(23)24)8-7-10-9-18-17(20-13(10)15)19-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,23,24)(H,18,19,20)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50318085
PNG
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting


Citation and Details
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM50307506
PNG
(1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amin...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
Show InChI InChI=1S/C23H25N7O2/c1-29-20-17(19(28-29)21(24)31)8-7-15-13-25-23(27-18(15)20)26-16-9-11-30(12-10-16)22(32)14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H2,24,31)(H,25,26,27)
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Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


Citation and Details
More data for this
Ligand-Target Pair
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