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PubMed code 31202991

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516352
PNG
(CHEMBL4444339)
Show SMILES FC(F)(F)c1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)17-6-2-4-8-20(17)29-12-14(26-27-29)11-28-10-9-16-15-5-1-3-7-18(15)25-19(16)13-28/h1-8,12,25H,9-11,13H2
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n/an/a 75n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516359
PNG
(CHEMBL4436455)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-4-3-5-16(10-14)29-12-15(26-27-29)11-28-9-8-18-17-6-1-2-7-19(17)25-20(18)13-28/h1-7,10,12,25H,8-9,11,13H2
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n/an/a 89n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516360
PNG
(CHEMBL4475822)
Show SMILES [O-][N+](=O)c1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18N6O2/c27-26(28)20-8-4-3-7-19(20)25-12-14(22-23-25)11-24-10-9-16-15-5-1-2-6-17(15)21-18(16)13-24/h1-8,12,21H,9-11,13H2
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n/an/a 108n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516367
PNG
(CHEMBL4461856)
Show SMILES Clc1ccc(Cl)c(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H17Cl2N5/c21-13-5-6-17(22)20(9-13)27-11-14(24-25-27)10-26-8-7-16-15-3-1-2-4-18(15)23-19(16)12-26/h1-6,9,11,23H,7-8,10,12H2
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n/an/a 112n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516377
PNG
(CHEMBL4556426)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18N6O2/c27-26(28)16-7-5-15(6-8-16)25-12-14(22-23-25)11-24-10-9-18-17-3-1-2-4-19(17)21-20(18)13-24/h1-8,12,21H,9-11,13H2
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n/an/a 121n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516373
PNG
(CHEMBL4436645)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C21H18F3N5/c22-21(23,24)14-5-7-16(8-6-14)29-12-15(26-27-29)11-28-10-9-18-17-3-1-2-4-19(17)25-20(18)13-28/h1-8,12,25H,9-11,13H2
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n/an/a 204n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516357
PNG
(CHEMBL4438728)
Show SMILES Fc1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18FN5/c21-17-6-2-4-8-20(17)26-12-14(23-24-26)11-25-10-9-16-15-5-1-3-7-18(15)22-19(16)13-25/h1-8,12,22H,9-11,13H2
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n/an/a 232n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516355
PNG
(CHEMBL4519573)
Show SMILES Clc1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18ClN5/c21-17-6-2-4-8-20(17)26-12-14(23-24-26)11-25-10-9-16-15-5-1-3-7-18(15)22-19(16)13-25/h1-8,12,22H,9-11,13H2
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n/an/a 243n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516353
PNG
(CHEMBL4591413)
Show SMILES C(N1CCc2c(C1)[nH]c1ccccc21)c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C20H19N5/c1-2-6-16(7-3-1)25-13-15(22-23-25)12-24-11-10-18-17-8-4-5-9-19(17)21-20(18)14-24/h1-9,13,21H,10-12,14H2
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n/an/a 314n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516378
PNG
(CHEMBL4444567)
Show SMILES Clc1ccc(cc1Cl)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H17Cl2N5/c21-17-6-5-14(9-18(17)22)27-11-13(24-25-27)10-26-8-7-16-15-3-1-2-4-19(15)23-20(16)12-26/h1-6,9,11,23H,7-8,10,12H2
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n/an/a 341n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516358
PNG
(CHEMBL4439917)
Show SMILES Fc1cccc(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18FN5/c21-14-4-3-5-16(10-14)26-12-15(23-24-26)11-25-9-8-18-17-6-1-2-7-19(17)22-20(18)13-25/h1-7,10,12,22H,8-9,11,13H2
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n/an/a 385n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516365
PNG
(CHEMBL4464712)
Show SMILES [O-][N+](=O)c1cc(Cl)ccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H17ClN6O2/c21-13-5-6-19(20(9-13)27(28)29)26-11-14(23-24-26)10-25-8-7-16-15-3-1-2-4-17(15)22-18(16)12-25/h1-6,9,11,22H,7-8,10,12H2
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n/an/a 394n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516374
PNG
(CHEMBL4556872)
Show SMILES Clc1cccc(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18ClN5/c21-14-4-3-5-16(10-14)26-12-15(23-24-26)11-25-9-8-18-17-6-1-2-7-19(17)22-20(18)13-25/h1-7,10,12,22H,8-9,11,13H2
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n/an/a 416n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516375
PNG
(CHEMBL4474666)
Show SMILES Fc1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18FN5/c21-14-5-7-16(8-6-14)26-12-15(23-24-26)11-25-10-9-18-17-3-1-2-4-19(17)22-20(18)13-25/h1-8,12,22H,9-11,13H2
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n/an/a 494n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516356
PNG
(CHEMBL4442375)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18ClN5/c21-14-5-7-16(8-6-14)26-12-15(23-24-26)11-25-10-9-18-17-3-1-2-4-19(17)22-20(18)13-25/h1-8,12,22H,9-11,13H2
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n/an/a 495n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516350
PNG
(CHEMBL4454610)
Show SMILES Brc1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C20H18BrN5/c21-14-5-7-16(8-6-14)26-12-15(23-24-26)11-25-10-9-18-17-3-1-2-4-19(17)22-20(18)13-25/h1-8,12,22H,9-11,13H2
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n/an/a 788n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516366
PNG
(CHEMBL4445182)
Show SMILES COc1ccc(cc1OC)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C22H23N5O2/c1-28-21-8-7-16(11-22(21)29-2)27-13-15(24-25-27)12-26-10-9-18-17-5-3-4-6-19(17)23-20(18)14-26/h3-8,11,13,23H,9-10,12,14H2,1-2H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516363
PNG
(CHEMBL4459131)
Show SMILES COc1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C21H21N5O/c1-27-17-8-6-16(7-9-17)26-13-15(23-24-26)12-25-11-10-19-18-4-2-3-5-20(18)22-21(19)14-25/h2-9,13,22H,10-12,14H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516362
PNG
(CHEMBL4557946)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C24H27N5/c1-24(2,3)17-8-10-19(11-9-17)29-15-18(26-27-29)14-28-13-12-21-20-6-4-5-7-22(20)25-23(21)16-28/h4-11,15,25H,12-14,16H2,1-3H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516372
PNG
(CHEMBL4446753)
Show SMILES Cc1ccc(C)c(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C22H23N5/c1-15-7-8-16(2)22(11-15)27-13-17(24-25-27)12-26-10-9-19-18-5-3-4-6-20(18)23-21(19)14-26/h3-8,11,13,23H,9-10,12,14H2,1-2H3
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n/an/a 1.54E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516364
PNG
(CHEMBL4438597)
Show SMILES CC(C)c1cccc(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C23H25N5/c1-16(2)17-6-5-7-19(12-17)28-14-18(25-26-28)13-27-11-10-21-20-8-3-4-9-22(20)24-23(21)15-27/h3-9,12,14,16,24H,10-11,13,15H2,1-2H3
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n/an/a 1.67E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516361
PNG
(CHEMBL4468324)
Show SMILES COc1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C21H21N5O/c1-27-21-9-5-4-8-20(21)26-13-15(23-24-26)12-25-11-10-17-16-6-2-3-7-18(16)22-19(17)14-25/h2-9,13,22H,10-12,14H2,1H3
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n/an/a 1.88E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516351
PNG
(CHEMBL4592679)
Show SMILES C(N1CCc2c(C1)[nH]c1ccccc21)c1cn(nn1)-c1cccc2cnccc12
Show InChI InChI=1S/C23H20N6/c1-2-6-21-19(5-1)20-9-11-28(15-22(20)25-21)13-17-14-29(27-26-17)23-7-3-4-16-12-24-10-8-18(16)23/h1-8,10,12,14,25H,9,11,13,15H2
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n/an/a 2.16E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516376
PNG
(CHEMBL4535483)
Show SMILES CC(C)c1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C23H25N5/c1-16(2)18-7-4-6-10-23(18)28-14-17(25-26-28)13-27-12-11-20-19-8-3-5-9-21(19)24-22(20)15-27/h3-10,14,16,24H,11-13,15H2,1-2H3
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n/an/a 2.53E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516354
PNG
(CHEMBL4530705)
Show SMILES Clc1ncccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
Show InChI InChI=1S/C19H17ClN6/c20-19-18(6-3-8-21-19)26-11-13(23-24-26)10-25-9-7-15-14-4-1-2-5-16(14)22-17(15)12-25/h1-6,8,11,22H,7,9-10,12H2
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n/an/a 3.49E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516369
PNG
(CHEMBL4547919)
Show SMILES FC(F)(F)c1ccccc1-n1cc(CN2CCc3ccccc23)nn1
Show InChI InChI=1S/C18H15F3N4/c19-18(20,21)15-6-2-4-8-17(15)25-12-14(22-23-25)11-24-10-9-13-5-1-3-7-16(13)24/h1-8,12H,9-11H2
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n/an/a 4.95E+3n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516370
PNG
(CHEMBL4466908)
Show SMILES Clc1ccc(cc1)-n1cc(CN2CCc3ccccc23)nn1
Show InChI InChI=1S/C17H15ClN4/c18-14-5-7-16(8-6-14)22-12-15(19-20-22)11-21-10-9-13-3-1-2-4-17(13)21/h1-8,12H,9-11H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516368
PNG
(CHEMBL4468624)
Show SMILES Fc1cccc(c1)-n1cc(CN2CCc3ccccc23)nn1
Show InChI InChI=1S/C17H15FN4/c18-14-5-3-6-16(10-14)22-12-15(19-20-22)11-21-9-8-13-4-1-2-7-17(13)21/h1-7,10,12H,8-9,11H2
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n/an/a 1.94E+4n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516379
PNG
(CHEMBL4437514)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cc(CN2CCc3ccccc23)nn1
Show InChI InChI=1S/C21H24N4/c1-21(2,3)17-8-10-19(11-9-17)25-15-18(22-23-25)14-24-13-12-16-6-4-5-7-20(16)24/h4-11,15H,12-14H2,1-3H3
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n/an/a 2.26E+4n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50516371
PNG
(CHEMBL4446839)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cc(CN2CCc3cc(Cl)ccc23)nn1
Show InChI InChI=1S/C21H23ClN4/c1-21(2,3)16-4-7-19(8-5-16)26-14-18(23-24-26)13-25-11-10-15-12-17(22)6-9-20(15)25/h4-9,12,14H,10-11,13H2,1-3H3
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n/an/a 2.71E+4n/an/an/an/an/an/a



Henan University

Curated by ChEMBL


Assay Description
Antagonist activity at capsaicin-induced human recombinant TRPV1 expressed in CHO-K1 cells co-expressing aequorin incubated for 2.5 mins in presence ...


Eur J Med Chem 178: 433-445 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.007
BindingDB Entry DOI: 10.7270/Q2765JPB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%