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Target
Sequence
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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: 414.2
BDBM50558173
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
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
Probable G-protein coupled receptor 142
(Mus musculus)
BDBM50558173
(CHEMBL4755668)
Show SMILES
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
138
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Agonist activity at mouse GPR142 expressed in CHO cells measured for 3 mins by Fluo-4M dye based FLIPR assay
Citation and Details
Article DOI:
10.1016/j.bmcl.2016.04.018
BindingDB Entry DOI:
10.7270/Q2HM5D44
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 142
(Homo sapiens (Human))
BDBM50558173
(CHEMBL4755668)
Show SMILES
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
140
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Agonist activity at human GPR142 expressed in CHO cells measured for 3 mins by Fluo-4M dye based FLIPR assay
Citation and Details
Article DOI:
10.1016/j.bmcl.2016.04.018
BindingDB Entry DOI:
10.7270/Q2HM5D44
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50558173
(CHEMBL4755668)
Show SMILES
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.60E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human liver microsomes CYP2D6 using dextromethorphan as substrate by MUX-MS/MS analysis
Citation and Details
Article DOI:
10.1016/j.bmcl.2016.04.018
BindingDB Entry DOI:
10.7270/Q2HM5D44
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50558173
(CHEMBL4755668)
Show SMILES
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
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
1.92E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human liver microsomes CYP3A4 using testosterone as substrate by MUX-MS/MS analysis
Citation and Details
Article DOI:
10.1016/j.bmcl.2016.04.018
BindingDB Entry DOI:
10.7270/Q2HM5D44
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50558173
(CHEMBL4755668)
Show SMILES
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
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
3.26E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human liver microsomes CYP2C9 using diclofenac as substrate by MUX-MS/MS analysis
Citation and Details
Article DOI:
10.1016/j.bmcl.2016.04.018
BindingDB Entry DOI:
10.7270/Q2HM5D44
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50558173
(CHEMBL4755668)
Show SMILES
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
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
2.03E+6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human ERG expressed in HEK293 cells assessed as reduction in S35-MK-0499 binding
Citation and Details
Article DOI:
10.1016/j.bmcl.2016.04.018
BindingDB Entry DOI:
10.7270/Q2HM5D44
More data for this
Ligand-Target Pair