Found 15 hits in this display 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 |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02190 BindingDB Entry DOI: 10.7270/Q2BV7MPD |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [C118L,A144C]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [C118L]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [F80T]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [F80M]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [C118I]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [A144G]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [A144C]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford
| Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University
Curated by ChEMBL
| Assay Description Binding affinity to CDK1 (unknown origin) |
Eur J Med Chem 164: 615-639 (2019)
Article DOI: 10.1016/j.ejmech.2019.01.003 BindingDB Entry DOI: 10.7270/Q2C53QDZ |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute
Curated by ChEMBL
| Assay Description Binding affinity to wild-type CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells by isothermal titration calorimetric method |
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 | |
Cyclin-dependent kinase 2 [C118L,A144C]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | n/a | 9.70 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford
| Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [A144C]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 15.4 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford
| Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford
| Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2 [C118L]
(Homo sapiens (Human)) | BDBM154576
(K03861 (1))Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35) | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 18.6 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford
| Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... |
ACS Chem Biol 10: 2116-25 (2015)
Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH |
More data for this Ligand-Target Pair | |