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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
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/
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85%
100%
Seq ID
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Download
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
12
hits with Last Name = 'woods' and Initial = 'nt'
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
Temp
°C
Cyclin-dependent kinase 5
(Homo sapiens (Human))
BDBM50570973
(CHEMBL4864688)
Show SMILES
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK5 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5
(Homo sapiens (Human))
BDBM50570974
(CHEMBL4846069)
Show SMILES
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
32
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK5 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50570974
(CHEMBL4846069)
Show SMILES
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
44
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50570973
(CHEMBL4864688)
Show SMILES
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
155
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50570973
(CHEMBL4864688)
Show SMILES
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
530
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK9 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50570974
(CHEMBL4846069)
Show SMILES
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.08E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK9 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50570973
(CHEMBL4864688)
Show SMILES
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
385
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CDK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50570974
(CHEMBL4846069)
Show SMILES
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
135
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CDK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5
(Homo sapiens (Human))
BDBM50570973
(CHEMBL4864688)
Show SMILES
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
815
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CDK5 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5
(Homo sapiens (Human))
BDBM50570974
(CHEMBL4846069)
Show SMILES
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
230
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CDK5 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50570973
(CHEMBL4864688)
Show SMILES
O=C(CCCOc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1)NCCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.06E+3
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CDK9 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50570974
(CHEMBL4846069)
Show SMILES
COc1ccc(CC(=O)Nc2cc([nH]n2)C2CCC2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.07E+3
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to CDK9 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128061
BindingDB Entry DOI:
10.7270/Q2348Q6B
More data for this
Ligand-Target Pair
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