Found 10 hits Enzyme Inhibition Constant Data 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-A2/Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7765
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15| Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
| Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A... |
J Med Chem 44: 4339-58 (2001)
Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7765
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15| Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | n/a | 1.77E+3 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description Thermofluor |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-A2/Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7765
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15| Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | n/a | 210 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description OctetRed |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225316
(CS241)Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| PDB D3R
| n/a | n/a | n/a | n/a | n/a | 0.0497 | 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 | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225316
(CS241)Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| PDB D3R
| n/a | n/a | n/a | n/a | n/a | n/a | 4.39E+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 | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225316
(CS241)Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| PDB D3R
| n/a | n/a | n/a | n/a | n/a | 0.0750 | 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 | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225316
(CS241)Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| PDB D3R
| n/a | n/a | n/a | 287 | 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 | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225316
(CS241)Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| PDB D3R
| n/a | n/a | n/a | n/a | n/a | n/a | 1.75E+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 | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7765
(3-{[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene...)Show SMILES NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15| Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| n/a | n/a | n/a | 287 | n/a | n/a | n/a | 7.5 | 25 |
CSAR
| Assay Description OctetRed |
CSAR 1: (2012)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM225316
(CS241)Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank PC cid PC sid PDB UniChem
| PDB D3R
| n/a | n/a | n/a | 210 | 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 | 3D Structure (crystal) |