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Target
Sequence
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IC50
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EC50
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Ki
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null
SMILES:
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
5
hits for monomerid = 50558167
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50558167
(CHEMBL4798957)
Show SMILES
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
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
1.39E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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))
BDBM50558167
(CHEMBL4798957)
Show SMILES
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.72E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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))
BDBM50558167
(CHEMBL4798957)
Show SMILES
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
45
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae)
BDBM50558167
(CHEMBL4798957)
Show SMILES
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
236
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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))
BDBM50558167
(CHEMBL4798957)
Show SMILES
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
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
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
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
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