Found 9 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM91749' 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 2
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 110 | n/a | n/a | 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 CDK2 (unknown origin) |
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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 77 | 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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| D3R
| n/a | n/a | n/a | 72.7 | 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 | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| D3R
| n/a | n/a | n/a | n/a | n/a | n/a | 2.24E+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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| D3R
| n/a | n/a | n/a | 77.3 | 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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| D3R
| n/a | n/a | n/a | n/a | n/a | n/a | 2.94E+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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| D3R
| n/a | n/a | n/a | n/a | n/a | 0.0169 | 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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 4.38E+3 | 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
(Homo sapiens (Human)) | BDBM91749
(CS16)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| D3R
| n/a | n/a | n/a | n/a | n/a | 0.00900 | 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 | |
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