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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50017699   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604152
PNG
(CHEMBL5181908)
Show SMILES CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r|
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PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604151
PNG
(CHEMBL5189961)
Show SMILES CC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(s1)-c1ccccc1 |r|
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UniChem
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n/an/a 5.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604148
PNG
(CHEMBL5193097)
Show SMILES COc1ccccc1NC(=O)N1CCC[C@H]1c1nc(cs1)-c1ccc(F)cc1 |r|
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UniChem
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n/an/a 5.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20504
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
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n/an/a 9.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604146
PNG
(CHEMBL5197188)
Show SMILES Fc1ccc(cc1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 |r|
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n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604153
PNG
(CHEMBL5190729)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(s1)-c1ccccc1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604150
PNG
(CHEMBL5209020)
Show SMILES FC(F)(F)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r|
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n/an/a 15n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604149
PNG
(CHEMBL5196648)
Show SMILES Fc1ccc(cc1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12 |r|
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PC sid
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604154
PNG
(CHEMBL5206746)
Show SMILES Cc1ccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c(c1)[N+]([O-])=O |r|
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n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604147
PNG
(CHEMBL5198687)
Show SMILES Fc1ccc(NC(=O)N2CCC[C@H]2c2nc(cs2)-c2ccc(F)cc2)cc1 |r|
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n/an/a 25n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604155
PNG
(CHEMBL5206635)
Show SMILES Fc1ccc(NC(=O)N2CCC[C@H]2c2nc(cs2)-c2ccccc2)cc1 |r|
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PC sid
UniChem
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n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604156
PNG
(CHEMBL5204829)
Show SMILES Cc1ccc(C)c(NC(=O)N2CCC[C@H]2c2nc(cs2)-c2ccccc2)c1 |r|
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n/an/a 44n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604157
PNG
(CHEMBL5188200)
Show SMILES O=C(Nc1cccc2cnccc12)N1CCC[C@H]1c1nc(cs1)-c1ccccc1 |r|
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n/an/a 68n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50604145
PNG
(CHEMBL5173980)
Show SMILES Fc1cccc(c1)-c1csc(n1)[C@@H]1CCCN1C(=O)Nc1cccc2cnccc12 |r|
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PC sid
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n/an/a 81n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM20504
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)py...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50604152
PNG
(CHEMBL5181908)
Show SMILES CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r|
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UniChem
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PubMed
n/an/a 7.45E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM50604152
PNG
(CHEMBL5181908)
Show SMILES CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50604152
PNG
(CHEMBL5181908)
Show SMILES CC(C)c1cccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c1 |r|
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114191
BindingDB Entry DOI: 10.7270/Q2PR812R
More data for this
Ligand-Target Pair