Found 3611 hits of ic50 for UniProtKB: P24864 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595815
(CHEMBL5179962)Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@H](O)C2)C(=O)C32CC2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595811
(CHEMBL5194832)Show SMILES C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)N[C@@H]3CCCN(C)C3)nc12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595809
(CHEMBL5175160)Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@H]2CCC[C@@H]2C)C(=O)C32CC2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601933
(4-((6'-hydroxy-8'-oxo-7',8'-dihydro-6'H- spiro[cyc...)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601934
(4-((7'-oxo-7',8'-dihydro-6'H- spiro[cyclohexane-1,...)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601935
(4-((3'-oxo-2',3'-dihydro-1'H- spiro[cyclohexane-1,...)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595813
(CHEMBL5190590)Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C(=O)C32CC2)c2cc(F)ccc2Cl)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50511924
(CHEMBL2377864)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1cccnc1 Show InChI InChI=1S/C15H13N5O3S2/c16-14-13(12(21)9-2-1-7-18-8-9)24-15(20-14)19-10-3-5-11(6-4-10)25(17,22)23/h1-8H,16H2,(H,19,20)(H2,17,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469
BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601941
((S)-4-((6'-(fluoromethyl)-8'-oxo- 7',8'-dihydro-6'...)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601942
(4-((8'-methyl-7'-oxo-7',8'-dihydro- 6'H-spiro[cycl...)Show SMILES CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601952
(2'-((4-(4-methylpiperazine-1- carbonyl)phenyl)amin...)Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601953
(2'-((4-(piperazine-1- carbonyl)phenyl)amino)-7',8'...)Show SMILES O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50526804
(CHEMBL4553241)Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r| Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin University of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cycE1 (unknown origin) by luciferase reporter gene assay |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601936
(4-((1'H-spiro[cyclohexane-1,4'- pyrimido[5',4':4,5...)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16| | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM5725
(2-aminothiazole 9 | 5-{[(5-tert-butyl-1,3-oxazol-2...)Show InChI InChI=1S/C15H17N5OS2/c1-15(2,3)10-6-17-12(21-10)8-22-13-7-18-14(23-13)20-11-4-5-16-9-19-11/h4-7,9H,8H2,1-3H3,(H,16,18,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 8.0 | 30 |
Bristol-Myers Squibb Company
| Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... |
Bioorg Med Chem Lett 14: 2973-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM253925
(US10189849, Compound 28 | US10927120, Compound 28 ...)Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21 Show InChI InChI=1S/C23H28N8O/c32-21-18-12-16-13-26-22(28-19-5-4-17(14-25-19)30-10-8-24-9-11-30)29-20(16)31(18)23(15-27-21)6-2-1-3-7-23/h4-5,12-14,24H,1-3,6-11,15H2,(H,27,32)(H,25,26,28,29) | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.08 | n/a | n/a | n/a | n/a | n/a | n/a |
G1 Therapeutics, Inc.
US Patent
| Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.... |
US Patent US9464092 (2016)
BindingDB Entry DOI: 10.7270/Q28C9V5W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50433369
(CHEMBL2377825)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... |
J Med Chem 62: 4233-4251 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01469
BindingDB Entry DOI: 10.7270/Q26Q21J2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595814
(CHEMBL5190046)Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H]2CCC[C@@]2(C)O)C(=O)C32CC2)cc1 |r| | PDB
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM621178
(US20230303564, Compound 20)Show SMILES Cn1cc(Cl)c(Nc2nc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)n1 | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 1.33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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CHEMBL
MCE
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PC cid
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UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CDK2/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM253929
(US9464092, U | US9527857, U)Show SMILES O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21 Show InChI InChI=1S/C28H36N8O2/c37-26-23-16-20-17-30-27(33-25(20)36(23)28(19-31-26)8-2-1-3-9-28)32-24-5-4-22(18-29-24)34-10-6-21(7-11-34)35-12-14-38-15-13-35/h4-5,16-18,21H,1-3,6-15,19H2,(H,31,37)(H,29,30,32,33) | PDB
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| US Patent
| n/a | n/a | 1.46 | n/a | n/a | n/a | n/a | n/a | n/a |
G1 Therapeutics, Inc.
US Patent
| Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.... |
US Patent US9464092 (2016)
BindingDB Entry DOI: 10.7270/Q28C9V5W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595812
(CHEMBL5203908)Show SMILES CNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N([C@@H](C)C2CC2)C(=O)C32CC2)cc1 |r| | PDB
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| PC cid
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| Article
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM253928
(US10189849, Compound 27 | US10927120, Compound 27 ...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29) | PDB
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| US Patent
| n/a | n/a | 1.66 | n/a | n/a | n/a | n/a | n/a | n/a |
G1 Therapeutics, Inc.
US Patent
| Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK6/CycD3 CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.... |
US Patent US9464092 (2016)
BindingDB Entry DOI: 10.7270/Q28C9V5W |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM621170
(US20230303564, Compound 1)Show SMILES C[C@@]1(O)CCC[C@H]1Nc1nccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12 |r| | PDB
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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University of Florida
Curated by ChEMBL
| Assay Description
Inhibition of human CDK2/cyclin-E using histone H1 as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50317169
((2'Z,3'E)-5-Nitro-5'-fluoro-indirubin-3'-oxime | C...)Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[c-](-c3[nH]c4ccc(F)cc4c3N=[OH+])c2c1 |(19.84,4.61,;18.7,3.57,;17.23,4.04,;19.03,2.07,;20.5,1.6,;20.83,.09,;19.69,-.94,;19.69,-2.48,;18.22,-2.96,;17.74,-4.42,;17.32,-1.71,;15.78,-1.71,;14.87,-2.97,;13.39,-2.49,;12.06,-3.26,;10.72,-2.49,;10.73,-.94,;9.39,-.17,;12.05,-.17,;13.39,-.93,;14.87,-.45,;15.34,1.01,;16.85,1.33,;18.22,-.46,;17.9,1.03,)| Show InChI InChI=1S/C16H8FN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,18H,(H,19,22)/q-1/p+1 | PDB
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Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E |
J Med Chem 53: 3696-706 (2010)
Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50317171
((2'Z,3'E)-5-Fluoro-5'-fluoro-indirubin-3'-oxime | ...)Show InChI InChI=1S/C16H9F2N3O2/c17-7-1-3-11-9(5-7)13(16(22)20-11)15-14(21-23)10-6-8(18)2-4-12(10)19-15/h1-6,13,19H,(H,20,22) | PDB
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Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E |
J Med Chem 53: 3696-706 (2010)
Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50595810
(CHEMBL5169515)Show SMILES C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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Hanyang University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E |
Bioorg Med Chem 19: 6760-7 (2011)
Article DOI: 10.1016/j.bmc.2011.09.042
BindingDB Entry DOI: 10.7270/Q2G44QPH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50317161
((2'Z,3'E)-5-Nitro-5'-hydroxy-indirubin-3'-oxime | ...)Show SMILES Oc1ccc2[nH]c(c(N=[OH+])c2c1)-[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |(-8.68,.59,;-7.35,-.18,;-7.35,-1.72,;-6.01,-2.49,;-4.68,-1.72,;-3.21,-2.2,;-2.29,-.95,;-3.21,.31,;-2.73,1.77,;-1.22,2.09,;-4.68,-.17,;-6.02,.59,;-.75,-.95,;.15,.3,;-.18,1.8,;.96,2.83,;2.43,2.36,;2.75,.85,;1.61,-.18,;1.61,-1.72,;.15,-2.19,;-.33,-3.66,;.63,4.33,;1.77,5.37,;-.84,4.8,)| Show InChI InChI=1S/C16H9N4O5/c21-8-2-4-12-10(6-8)14(19-23)15(17-12)13-9-5-7(20(24)25)1-3-11(9)18-16(13)22/h1-6,17,21H,(H,18,22)/q-1/p+1 | PDB
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Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E |
J Med Chem 53: 3696-706 (2010)
Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601946
(4-((1',3'-dimethyl-1'H- spiro[cyclohexane-1,4'- py...)Show SMILES CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2| | PDB
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BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM5666
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1 Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25) | PDB
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Bristol-Myers Squibb Pharmaceutical Research Institute
| Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... |
J Med Chem 45: 3905-27 (2002)
Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM560680
(US11384083, Example 12)Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N([C@@H]1CCC[C@@H](O)C1)C(=O)C21CC1 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI: 10.7270/Q29C72FH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50597411
(CHEMBL5171387)Show SMILES CC(C)c1[nH]nc2c(NCc3ccc(cc3)-n3cccn3)nc(SCCN)nc12 | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02184
BindingDB Entry DOI: 10.7270/Q26114CS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM5727
(2-aminothiazole 23 | N-{4-[(5-{[(5-tert-butyl-1,3-...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1 Show InChI InChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23) | PDB
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Bristol-Myers Squibb Company
| Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... |
Bioorg Med Chem Lett 14: 2973-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM5723
(2-aminothiazole 7 | 5-{[(5-tert-butyl-1,3-oxazol-2...)Show InChI InChI=1S/C16H18N4OS2/c1-16(2,3)11-8-18-13(21-11)10-22-14-9-19-15(23-14)20-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3,(H,17,19,20) | PDB
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Bristol-Myers Squibb Company
| Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... |
Bioorg Med Chem Lett 14: 2973-7 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in... |
J Med Chem 62: 4606-4623 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50521533
(CHEMBL4540226)Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12 Show InChI InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27) | PDB
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Palack£ University and Institute of Experimental Botany
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in... |
J Med Chem 62: 4606-4623 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50193093
(RGB-286638)Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38) | PDB
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University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50139171
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r| Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1 | PDB
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Palack£ University and Institute of Experimental Botany AS CR
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP |
Eur J Med Chem 110: 291-301 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM10112
((3Z)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methyli...)Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12 |r| Show InChI InChI=1S/C20H18FN3O2/c1-26-18-8-10-23-17(18)11-14-19-13(5-4-12-3-2-9-22-12)15(21)6-7-16(19)24-20(14)25/h6-8,10-12,22-23H,2-3,9H2,1H3,(H,24,25)/b14-11-/t12-/m0/s1 | PDB
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Hoffmann-La Roche Inc.
| Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma... |
Bioorg Med Chem Lett 14: 913-7 (2004)
Article DOI: 10.1016/j.bmcl.2003.12.009
BindingDB Entry DOI: 10.7270/Q20V8B1V |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM10083
((3Z)-4-(3-hydroxypiperidin-1-yl)-3-[(3-methoxy-1H-...)Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(O)C3)c12)N(=O)=O Show InChI InChI=1S/C19H20N4O5/c1-28-16-6-7-20-14(16)9-12-17-13(21-19(12)25)4-5-15(23(26)27)18(17)22-8-2-3-11(24)10-22/h4-7,9,11,20,24H,2-3,8,10H2,1H3,(H,21,25)/b12-9- | PDB
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Hoffmann-La Roche Inc.
| Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma... |
Bioorg Med Chem 11: 1873-81 (2003)
Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM10085
((3Z)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-[(3-met...)Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(CO)C3)c12)N(=O)=O Show InChI InChI=1S/C20H22N4O5/c1-29-17-6-7-21-15(17)9-13-18-14(22-20(13)26)4-5-16(24(27)28)19(18)23-8-2-3-12(10-23)11-25/h4-7,9,12,21,25H,2-3,8,10-11H2,1H3,(H,22,26)/b13-9- | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Hoffmann-La Roche Inc.
| Assay Description
Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma... |
Bioorg Med Chem 11: 1873-81 (2003)
Article DOI: 10.1016/s0968-0896(03)00036-1
BindingDB Entry DOI: 10.7270/Q24M92SM |
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Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50317163
((2'Z,3'E)-5-Fluoro-5'-hydroxy-indirubin-3'-oxime |...)Show SMILES Oc1ccc2[nH]c(C3C(=O)Nc4ccc(F)cc34)c(N=O)c2c1 Show InChI InChI=1S/C16H10FN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,18,21H,(H,19,22) | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin E |
J Med Chem 53: 3696-706 (2010)
Article DOI: 10.1021/jm100080z
BindingDB Entry DOI: 10.7270/Q2X92BFT |
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Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50563174
(CHEMBL1708376) | PDB
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TBA
| Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113232
BindingDB Entry DOI: 10.7270/Q22J6GMW |
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Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601938
((R)-4-((6'-(fluoromethyl)-8'-oxo- 7',8'-dihydro-6'...)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601954
(8'-methyl-2'-((4-((4-methylpiperazin- 1-yl)sulfony...)Show SMILES CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1 | PDB
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TBA
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Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
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Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM5668
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1 Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30) | PDB
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Bristol-Myers Squibb Pharmaceutical Research Institute
| Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ... |
J Med Chem 45: 3905-27 (2002)
Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM601960
(8'-methyl-2'-((4-(4- methylpiperazine-1- carbonyl)...)Show SMILES CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc3n2C11CCCCC1 | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VX0MGD |
More data for this
Ligand-Target Pair | |
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