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Target
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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4' and Ligand = 'BDBM59087'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
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°C
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM59087
(CHEMBL258765 | Fasca-plysi | Fascaplysin)
Show SMILES
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Show InChI
InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
350
n/a
n/a
n/a
n/a
n/a
n/a
Cyclacel Limited
Assay Description
In vitro kinase inhibition assay.
Chem Biol
11:
525
-
34
(2004)
Article DOI:
10.1016/j.chembiol.2004.03.022
BindingDB Entry DOI:
10.7270/Q2Q23XP3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM59087
(CHEMBL258765 | Fasca-plysi | Fascaplysin)
Show SMILES
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Show InChI
InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
350
n/a
n/a
n/a
n/a
n/a
n/a
Griffith University
Curated by
ChEMBL
Assay Description
Inhibition of CDK4
J Nat Prod
69:
14
-
7
(2006)
Article DOI:
10.1021/np050229y
BindingDB Entry DOI:
10.7270/Q2FJ2GHF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM59087
(CHEMBL258765 | Fasca-plysi | Fascaplysin)
Show SMILES
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Show InChI
InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
350
n/a
n/a
n/a
n/a
n/a
n/a
CSIR-Indian Institute of Integrative Medicine
Curated by
ChEMBL
Assay Description
Inhibition of CDK4 (unknown origin)
Eur J Med Chem
107:
1
-
11
(2016)
Article DOI:
10.1016/j.ejmech.2015.10.049
BindingDB Entry DOI:
10.7270/Q2H70JSM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM59087
(CHEMBL258765 | Fasca-plysi | Fascaplysin)
Show SMILES
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Show InChI
InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
University of Leicester
Curated by
ChEMBL
Assay Description
Inhibition of human CDK4/ Cyclin D1 catalytic subunit expressed in Sf9 insect cells assessed as GST-RB152 fusion protein phosphorylation-associated d...
Bioorg Med Chem
17:
6073
-
84
(2009)
Article DOI:
10.1016/j.bmc.2009.06.070
BindingDB Entry DOI:
10.7270/Q27P8ZDP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4
(Homo sapiens (Human))
BDBM59087
(CHEMBL258765 | Fasca-plysi | Fascaplysin)
Show SMILES
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
Show InChI
InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
550
n/a
n/a
n/a
n/a
n/a
n/a
University of Leicester
Curated by
ChEMBL
Assay Description
Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation
Bioorg Med Chem
16:
7728
-
39
(2008)
Article DOI:
10.1016/j.bmc.2008.07.002
BindingDB Entry DOI:
10.7270/Q2348K57
More data for this
Ligand-Target Pair