Found 11 hits Enzyme Inhibition Constant Data 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-A2/Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM91782
(CS260)Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | 334 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description ITC |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM91782
(CS260)Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description OctetRed |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM91782
(CS260)Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | 419 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description Thermofluor |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM91782
(CS260)Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description OctetRed |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM91782
(CS260)Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PubMed
| n/a | n/a | n/a | 179 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description ITC |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225323
(CS260)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| D3R
| n/a | n/a | n/a | n/a | n/a | n/a | 1.32E+5 | n/a | n/a |
D3R
| Assay Description OctetRed_Method3 |
D3R 220: (2015)
BindingDB Entry DOI: 10.7270/Q21J98M7 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225323
(CS260)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| D3R
| n/a | n/a | n/a | 98.6 | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description OctetRed_Method1 |
D3R 220: (2015)
BindingDB Entry DOI: 10.7270/Q21J98M7 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225323
(CS260)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| D3R
| n/a | n/a | n/a | n/a | n/a | 0.00600 | n/a | n/a | n/a |
D3R
| Assay Description OctetRed_Method3 |
D3R 219: (2015)
BindingDB Entry DOI: 10.7270/Q25B01BH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225323
(CS260)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| D3R
| n/a | n/a | n/a | n/a | n/a | n/a | 9.39E+5 | n/a | n/a |
D3R
| Assay Description OctetRed_Method3 |
D3R 219: (2015)
BindingDB Entry DOI: 10.7270/Q25B01BH |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225323
(CS260)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| D3R
| n/a | n/a | n/a | n/a | n/a | 0.0133 | n/a | n/a | n/a |
D3R
| Assay Description OctetRed_Method3 |
D3R 220: (2015)
BindingDB Entry DOI: 10.7270/Q21J98M7 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225323
(CS260)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| D3R
| n/a | n/a | n/a | 8.43 | n/a | n/a | n/a | n/a | n/a |
D3R
| Assay Description OctetRed_Method2 |
D3R 219: (2015)
BindingDB Entry DOI: 10.7270/Q25B01BH |
More data for this Ligand-Target Pair | |