Found 9 hits of 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-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | 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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | 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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/P25 (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | 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 | 775 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/P25 (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | PDB
MMDB
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 | 875 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/CyclinT (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50440473
(CHEMBL2425904)Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1[N+](=O)[N-]C#N Show InChI InChI=1S/C20H26N8O5S/c21-13-23-28(30)17-18(22)26-20(27-19(17)33-12-14-4-2-1-3-5-14)25-15-6-8-16(9-7-15)34(31,32)24-10-11-29/h6-9,14,24,29H,1-5,10-12H2,(H3,22,25,26,27)/b28-23- | 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 | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50440474
(CHEMBL2425903)Show SMILES CNS(=O)(=O)c1ccc(Nc2nc(N)c(c(OCC3CCCCC3)n2)[N+](=O)[N-]C#N)cc1 Show InChI InChI=1S/C19H24N8O4S/c1-22-32(29,30)15-9-7-14(8-10-15)24-19-25-17(21)16(27(28)23-12-20)18(26-19)31-11-13-5-3-2-4-6-13/h7-10,13,22H,2-6,11H2,1H3,(H3,21,24,25,26)/b27-23- | PDB
MMDB
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 | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/CyclinT (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM5566
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Torino
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) |
Eur J Med Chem 68: 333-8 (2013)
Article DOI: 10.1016/j.ejmech.2013.07.031
BindingDB Entry DOI: 10.7270/Q2ZW1NB0 |
More data for this
Ligand-Target Pair | |
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