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Target
Sequence
Name
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 396.8
BDBM50567869
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
9
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-C
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDK8/Cyclin C (unknown origin) using RBER-CHKtide as substrate in presence of [32P]gammaATP incubated for 60 mins by microplate scintil...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
51
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human LRRK2 using RLGRDKYKTLRQIRQ as substrate after 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometry as...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
166
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human FMS using KKKSPGEYVNIEFG as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiomet...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
242
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human FLT3 using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma-33ATP] by scintillation counting based radiometr...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
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
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Cytochrome P450 2C19
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
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
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
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
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG expressed in CHO cells
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50567869
(CHEMBL4878007)
Show SMILES
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
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
>2.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113391
BindingDB Entry DOI:
10.7270/Q29P35DW
More data for this
Ligand-Target Pair