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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Ki
IC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 509.5
BDBM525743
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
8
hits in this display
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 4
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
1.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK4 and CDK6: IC50 values of compounds against CDK4 and CDK6 were determined by luminescence using retinoblastoma as substrate. Kinase assays were p...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE. These screening assays were performed at Invitrogen L...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen Eu Kinase Binding Assay at Invitrogen Life Te...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307]
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK5 (p25): IC50 values of compounds against CDK5 (p25) were determined by Z′-LYTE. These screening assays were performed at Invitrogen L...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK1 (cyclin B): IC50 values of compounds against CDK1 (cyclin B) were determined by Z′-LYTE. These screening assays were performed at In...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
FMS: IC50 values of compounds against FMS kinase were determined by LanthaScreen Eu Kinase Binding Assay at Invitrogen (Life Technologies Grand...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human))
BDBM525743
(US11174252, Compound 38)
Show SMILES
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
n/a
n/a
163
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
CDK7 (cyclin H): IC50 values of compounds against CDK7 (cyclin H) were determined by Adapta Assay at Invitrogen Life Technologies (Grand Island...
Citation and Details
BindingDB Entry DOI:
10.7270/Q27D2Z99
More data for this
Ligand-Target Pair