Found 270 hits with Last Name = 'longo' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50036738
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PDB
Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50064946
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50036734
((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50550237
(CHEMBL4747257)Show SMILES CCCC(CCC)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50580184
(CHEMBL5079556)Show SMILES CCCC(CCC)C(=O)O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 |r| | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50580183
(CHEMBL5094340)Show SMILES CCCC(CCC)C(=O)O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1 |r| | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins by microbeta scintillation counting method |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00995
BindingDB Entry DOI: 10.7270/Q2DZ0D56 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307546
(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) | PDB
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Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307543
(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) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307507
(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) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307522
(8-(Cyclopentylamino)-1-methyl-4,5-dihydro-1H-pyraz...)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) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7111
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)(H2,20,21,22,24)/t11-/m0/s1 | PDB
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| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7107
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo...)Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307535
(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) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307506
(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) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307545
(1-Methyl-8-{[1-(phenylsulfonyl)piperidin-4-yl]amin...)Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)C4CCN(CC4)S(=O)(=O)c4ccccc4)nc3-c12 Show InChI InChI=1S/C28H34N8O4S/c1-34-25-22(24(33-34)26(29)37)8-7-19-17-30-28(32-23(19)25)31-20-11-13-35(14-12-20)27(38)18-9-15-36(16-10-18)41(39,40)21-5-3-2-4-6-21/h2-6,17-18,20H,7-16H2,1H3,(H2,29,37)(H,30,31,32) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307520
(8-(Cyclohexylamino)-1-methyl-4,5-dihydro-1H-pyrazo...)Show InChI InChI=1S/C17H22N6O/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/h9,11H,2-8H2,1H3,(H2,18,24)(H,19,20,21) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50307535
(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) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307538
(8-(Cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dih...)Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H23N7O3S/c22-20(29)18-16-10-5-12-11-24-21(25-13-3-1-2-4-13)26-17(12)19(16)28(27-18)14-6-8-15(9-7-14)32(23,30)31/h6-9,11,13H,1-5,10H2,(H2,22,29)(H2,23,30,31)(H,24,25,26) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307509
(CHEMBL592272 | N-1-Dimethyl-8-{[1-(phenylsulfonyl)...)Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(=O)(=O)c3ccccc3)nc-21 Show InChI InChI=1S/C29H36N8O4S/c1-30-27(38)25-23-9-8-20-18-31-29(33-24(20)26(23)35(2)34-25)32-21-12-14-36(15-13-21)28(39)19-10-16-37(17-11-19)42(40,41)22-6-4-3-5-7-22/h3-7,18-19,21H,8-17H2,1-2H3,(H,30,38)(H,31,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307529
(8-(Cyclopentylamino)-1-(2,2,2-trifluoroethyl)-4,5-...)Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C17H19F3N6O/c18-17(19,20)8-26-14-11(13(25-26)15(21)27)6-5-9-7-22-16(24-12(9)14)23-10-3-1-2-4-10/h7,10H,1-6,8H2,(H2,21,27)(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307553
(8-(Cyclopentylamino)-1-(4-methoxyphenyl)-4,5-dihyd...)Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12 Show InChI InChI=1S/C22H24N6O2/c1-30-16-9-7-15(8-10-16)28-20-17(19(27-28)21(23)29)11-6-13-12-24-22(26-18(13)20)25-14-4-2-3-5-14/h7-10,12,14H,2-6,11H2,1H3,(H2,23,29)(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50307507
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307530
(8-(Cyclopentylamino)-1-(1-methylpiperidin-4-yl)-4,...)Show SMILES CN1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12 Show InChI InChI=1S/C21H29N7O/c1-27-10-8-15(9-11-27)28-19-16(18(26-28)20(22)29)7-6-13-12-23-21(25-17(13)19)24-14-4-2-3-5-14/h12,14-15H,2-11H2,1H3,(H2,22,29)(H,23,24,25) | PDB
Reactome pathway
KEGG
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antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50307506
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50307507
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/P25 |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50307535
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307550
(1-(1-Acetylpiperidin-4-yl)-8-(cyclopentylamino)-4,...)Show SMILES CC(=O)N1CCC(CC1)n1nc(C(N)=O)c2CCc3cnc(NC4CCCC4)nc3-c12 Show InChI InChI=1S/C22H29N7O2/c1-13(30)28-10-8-16(9-11-28)29-20-17(19(27-29)21(23)31)7-6-14-12-24-22(26-18(14)20)25-15-4-2-3-5-15/h12,15-16H,2-11H2,1H3,(H2,23,31)(H,24,25,26) | PDB
Reactome pathway
KEGG
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antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307516
(8-(Cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydr...)Show InChI InChI=1S/C17H22N6O2/c18-16(25)14-12-6-5-10-9-19-17(20-11-3-1-2-4-11)21-13(10)15(12)23(22-14)7-8-24/h9,11,24H,1-8H2,(H2,18,25)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50307507
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50307535
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/P25 |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50307506
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/P25 |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7114
(3-Aminopyrazole deriv. 27 | N-(5-Cyclopropyl-1H-py...)Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc[nH]c1=O Show InChI InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-11,13H,2-3H2,1H3,(H,19,25)(H2,20,21,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307515
(1-Methyl-8-({1-[(4-methylpiperazin-1-yl)carbonyl]p...)Show SMILES CN1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O Show InChI InChI=1S/C22H31N9O2/c1-28-9-11-31(12-10-28)22(33)30-7-5-15(6-8-30)25-21-24-13-14-3-4-16-18(20(23)32)27-29(2)19(16)17(14)26-21/h13,15H,3-12H2,1-2H3,(H2,23,32)(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307539
(8-{[4-(Acetylamino)benzyl]amino}-1-methyl-4,5-dihy...)Show SMILES CC(=O)Nc1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1 Show InChI InChI=1S/C20H21N7O2/c1-11(28)24-14-6-3-12(4-7-14)9-22-20-23-10-13-5-8-15-17(19(21)29)26-27(2)18(15)16(13)25-20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,21,29)(H,24,28)(H,22,23,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50307506
(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) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin E |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7118
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-met...)Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r| Show InChI InChI=1S/C19H23N5O2/c1-12(18(25)20-17-11-16(21-22-17)14-3-4-14)13-5-7-15(8-6-13)24-10-9-23(2)19(24)26/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7112
(3-Aminopyrazole deriv. 25 | N-(5-cyclopropyl-1H-py...)Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc(O)[nH]c1=O Show InChI InChI=1S/C18H19N5O3/c1-10(17(25)19-15-8-14(21-22-15)12-2-3-12)11-4-6-13(7-5-11)23-9-16(24)20-18(23)26/h4-10,12,24H,2-3H2,1H3,(H,20,26)(H2,19,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307544
(1-Methyl-8-{[4-(4-methylpiperazin-1-yl)benzyl]amin...)Show SMILES CN1CCN(CC1)c1ccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1 Show InChI InChI=1S/C23H28N8O/c1-29-9-11-31(12-10-29)17-6-3-15(4-7-17)13-25-23-26-14-16-5-8-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-4,6-7,14H,5,8-13H2,1-2H3,(H2,24,32)(H,25,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307513
(8-[(2-Hydroxyethyl)amino]-1-methyl-4,5-dihydro-1H-...)Show InChI InChI=1S/C13H16N6O2/c1-19-11-8(10(18-19)12(14)21)3-2-7-6-16-13(15-4-5-20)17-9(7)11/h6,20H,2-5H2,1H3,(H2,14,21)(H,15,16,17) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307511
(8-(Cyclopentylamino)-1-phenyl-4,5-dihydro-1H-pyraz...)Show SMILES NC(=O)c1nn(c-2c1CCc1cnc(NC3CCCC3)nc-21)-c1ccccc1 Show InChI InChI=1S/C21H22N6O/c22-20(28)18-16-11-10-13-12-23-21(24-14-6-4-5-7-14)25-17(13)19(16)27(26-18)15-8-2-1-3-9-15/h1-3,8-9,12,14H,4-7,10-11H2,(H2,22,28)(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7120
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r| Show InChI InChI=1S/C18H20N4O3/c1-11(17(23)19-16-10-15(20-21-16)13-2-3-13)12-4-6-14(7-5-12)22-8-9-25-18(22)24/h4-7,10-11,13H,2-3,8-9H2,1H3,(H2,19,20,21,23)/t11-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7103
(1-(4-{1-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]...)Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCC(C(N)=O)C1=O Show InChI InChI=1S/C20H23N5O3/c1-11(19(27)22-17-10-16(23-24-17)13-2-3-13)12-4-6-14(7-5-12)25-9-8-15(18(21)26)20(25)28/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H2,21,26)(H2,22,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307549
(1-Methyl-8-[(pyridin-4-ylmethyl)amino]-4,5-dihydro...)Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)3-2-11-9-21-17(22-13(11)15)20-8-10-4-6-19-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,18,25)(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307552
(1-Methyl-8-[(pyridin-3-ylmethyl)amino]-4,5-dihydro...)Show InChI InChI=1S/C17H17N7O/c1-24-15-12(14(23-24)16(18)25)5-4-11-9-21-17(22-13(11)15)20-8-10-3-2-6-19-7-10/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,25)(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307527
(1-Benzyl-8-(cyclopentylamino)-4,5-dihydro-1H-pyraz...)Show SMILES NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1cnc(NC3CCCC3)nc-21 Show InChI InChI=1S/C22H24N6O/c23-21(29)19-17-11-10-15-12-24-22(25-16-8-4-5-9-16)26-18(15)20(17)28(27-19)13-14-6-2-1-3-7-14/h1-3,6-7,12,16H,4-5,8-11,13H2,(H2,23,29)(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307537
(CHEMBL606409 | N-1-Dimethyl-8-{[1-(phenylcarbonyl)...)Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)c3ccccc3)nc-21 Show InChI InChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50307535
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of GSK3-beta |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50307536
(8-[(1-Acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5...)Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(C)=O)nc-21 Show InChI InChI=1S/C19H25N7O2/c1-11(27)26-8-6-13(7-9-26)22-19-21-10-12-4-5-14-16(18(28)20-2)24-25(3)17(14)15(12)23-19/h10,13H,4-9H2,1-3H3,(H,20,28)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/Cyclin A |
J Med Chem 53: 2171-87 (2010)
Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM7101
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C19H22N4O2/c1-12(19(25)20-17-11-16(21-22-17)14-4-5-14)13-6-8-15(9-7-13)23-10-2-3-18(23)24/h6-9,11-12,14H,2-5,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Nerviano Medical Sciences
| Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... |
J Med Chem 48: 2944-56 (2005)
Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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