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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50033390   
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))
BDBM50344356
PNG
(CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...)
Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)
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n/an/a 1.70n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344367
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)
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n/an/a 2.20n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344377
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-chloro...)
Show SMILES Oc1ccc2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H11Cl2F3N2O2/c19-14-6-3-10(7-13(14)18(21,22)23)24-17(27)25-16-12-8-11(26)4-1-9(12)2-5-15(16)20/h1-8,26H,(H2,24,25,27)
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n/an/a 3.40n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344345
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)
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n/an/a 3.5n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20412
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-[3-(methylsulfanyl)...)
Show SMILES CSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C18H16N2O2S/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)
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n/an/a 3.90n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344363
PNG
(1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
Show InChI InChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23)
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n/an/a 4.90n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344346
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-(4-(trifluoromethyl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)12-5-7-13(8-6-12)22-17(25)23-16-3-1-2-11-4-9-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)
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n/an/a 5.40n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344355
PNG
(1-(3-bromophenyl)-3-(7-hydroxynaphthalen-1-yl)urea...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H13BrN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
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n/an/a 5.70n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344378
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2,3-dich...)
Show SMILES Oc1ccc2cc(Cl)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10Cl3F3N2O2/c19-13-4-2-9(6-12(13)18(22,23)24)25-17(28)26-16-11-7-10(27)3-1-8(11)5-14(20)15(16)21/h1-7,27H,(H2,25,26,28)
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n/an/a 5.90n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344348
PNG
(1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)ure...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C17H13ClN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
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n/an/a 6.10n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344372
PNG
(1-(3-bromo-2-chloro-7-hydroxynaphthalen-1-yl)-3-(4...)
Show SMILES Oc1ccc2cc(Br)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10BrCl2F3N2O2/c19-13-5-8-1-3-10(27)7-11(8)16(15(13)21)26-17(28)25-9-2-4-14(20)12(6-9)18(22,23)24/h1-7,27H,(H2,25,26,28)
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n/an/a 6.80n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344373
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2,3-dibr...)
Show SMILES Oc1ccc2cc(Br)c(Br)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10Br2ClF3N2O2/c19-13-5-8-1-3-10(27)7-11(8)16(15(13)20)26-17(28)25-9-2-4-14(21)12(6-9)18(22,23)24/h1-7,27H,(H2,25,26,28)
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n/an/a 7.5n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344353
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-(3-nitrophenyl)urea...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(c3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C17H13N3O4/c21-14-8-7-11-3-1-6-16(15(11)10-14)19-17(22)18-12-4-2-5-13(9-12)20(23)24/h1-10,21H,(H2,18,19,22)
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n/an/a 7.5n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344352
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-(3-methoxyphenyl)ur...)
Show SMILES COc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C18H16N2O3/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)
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n/an/a 8n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344350
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-m-tolylurea | CHEMB...)
Show SMILES Cc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C18H16N2O2/c1-12-4-2-6-14(10-12)19-18(22)20-17-7-3-5-13-8-9-15(21)11-16(13)17/h2-11,21H,1H3,(H2,19,20,22)
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n/an/a 11n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344362
PNG
(1-(2,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)cc3Cl)c2c1
Show InChI InChI=1S/C17H12Cl2N2O2/c18-11-5-7-16(14(19)8-11)21-17(23)20-15-3-1-2-10-4-6-12(22)9-13(10)15/h1-9,22H,(H2,20,21,23)
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n/an/a 12n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344349
PNG
(1-(4-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)ure...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C17H13ClN2O2/c18-12-5-7-13(8-6-12)19-17(22)20-16-3-1-2-11-4-9-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
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n/an/a 12n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344364
PNG
(1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)c2c1
Show InChI InChI=1S/C17H12Cl2N2O2/c18-11-6-12(19)8-13(7-11)20-17(23)21-16-3-1-2-10-4-5-14(22)9-15(10)16/h1-9,22H,(H2,20,21,23)
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n/an/a 12n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344366
PNG
(1-(2-chloro-5-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cc(ccc3Cl)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-14-7-5-11(18(20,21)22)8-16(14)24-17(26)23-15-3-1-2-10-4-6-12(25)9-13(10)15/h1-9,25H,(H2,23,24,26)
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n/an/a 13n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344351
PNG
(1-(3-fluorophenyl)-3-(7-hydroxynaphthalen-1-yl)ure...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(F)c3)c2c1
Show InChI InChI=1S/C17H13FN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)
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n/an/a 14n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344361
PNG
(1-(2,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3cc(Cl)ccc3Cl)c2c1
Show InChI InChI=1S/C17H12Cl2N2O2/c18-11-5-7-14(19)16(8-11)21-17(23)20-15-3-1-2-10-4-6-12(22)9-13(10)15/h1-9,22H,(H2,20,21,23)
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n/an/a 24n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344354
PNG
(1-(3-acetylphenyl)-3-(7-hydroxynaphthalen-1-yl)ure...)
Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C19H16N2O3/c1-12(22)14-5-2-6-15(10-14)20-19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-11,23H,1H3,(H2,20,21,24)
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n/an/a 28n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM6646
PNG
(3-(7-hydroxynaphthalen-1-yl)-1-phenylurea | Diaryl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccc3)c2c1
Show InChI InChI=1S/C17H14N2O2/c20-14-10-9-12-5-4-8-16(15(12)11-14)19-17(21)18-13-6-2-1-3-7-13/h1-11,20H,(H2,18,19,21)
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n/an/a 29n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344365
PNG
(1-(4-chloro-2-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)cc3C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-11-5-7-16(14(8-11)18(20,21)22)24-17(26)23-15-3-1-2-10-4-6-12(25)9-13(10)15/h1-9,25H,(H2,23,24,26)
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n/an/a 31n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344376
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-methox...)
Show SMILES COc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C19H14ClF3N2O2/c1-27-13-7-5-11-3-2-4-17(14(11)10-13)25-18(26)24-12-6-8-16(20)15(9-12)19(21,22)23/h2-10H,1H3,(H2,24,25,26)
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n/an/a 32n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344369
PNG
(CHEMBL1779833 | N-(4-chloro-3-(trifluoromethyl)phe...)
Show SMILES Oc1ccc2cccc(CC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C19H13ClF3NO2/c20-17-7-5-13(9-16(17)19(21,22)23)24-18(26)8-12-3-1-2-11-4-6-14(25)10-15(11)12/h1-7,9-10,25H,8H2,(H,24,26)
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n/an/a 34n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344368
PNG
(3-(4-chloro-3-(trifluoromethyl)phenyl)-1-(7-hydrox...)
Show SMILES CN(C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1cccc2ccc(O)cc12
Show InChI InChI=1S/C19H14ClF3N2O2/c1-25(17-4-2-3-11-5-7-13(26)10-14(11)17)18(27)24-12-6-8-16(20)15(9-12)19(21,22)23/h2-10,26H,1H3,(H,24,27)
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n/an/a 44n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344347
PNG
(1-(2-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)ure...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccc3Cl)c2c1
Show InChI InChI=1S/C17H13ClN2O2/c18-14-5-1-2-6-16(14)20-17(22)19-15-7-3-4-11-8-9-12(21)10-13(11)15/h1-10,21H,(H2,19,20,22)
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n/an/a 52n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344344
PNG
(1-(7-hydroxynaphthalen-1-yl)-3-(2-(trifluoromethyl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccccc3C(F)(F)F)c2c1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)14-5-1-2-6-16(14)23-17(25)22-15-7-3-4-11-8-9-12(24)10-13(11)15/h1-10,24H,(H2,22,23,25)
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n/an/a 87n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344374
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2CCCC(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H16ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h4-9,16,25H,1-3H2,(H2,23,24,26)
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n/an/a 260n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344370
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-2-cyano-3-(...)
Show SMILES Oc1ccc2cccc(N=C(NC#N)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 |w:9.8|
Show InChI InChI=1S/C19H12ClF3N4O/c20-16-7-5-12(8-15(16)19(21,22)23)26-18(25-10-24)27-17-3-1-2-11-4-6-13(28)9-14(11)17/h1-9,28H,(H2,25,26,27)
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n/an/a 340n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344359
PNG
(3-(3-(7-hydroxynaphthalen-1-yl)ureido)benzoic acid...)
Show SMILES OC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C18H14N2O4/c21-14-8-7-11-3-2-6-16(15(11)10-14)20-18(24)19-13-5-1-4-12(9-13)17(22)23/h1-10,21H,(H,22,23)(H2,19,20,24)
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n/an/a 520n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344357
PNG
(1-(3-(hydroxymethyl)phenyl)-3-(7-hydroxynaphthalen...)
Show SMILES OCc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C18H16N2O3/c21-11-12-3-1-5-14(9-12)19-18(23)20-17-6-2-4-13-7-8-15(22)10-16(13)17/h1-10,21-22H,11H2,(H2,19,20,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344358
PNG
(1-(3-(1-hydroxyethyl)phenyl)-3-(7-hydroxynaphthale...)
Show SMILES CC(O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
Show InChI InChI=1S/C19H18N2O3/c1-12(22)14-5-2-6-15(10-14)20-19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-12,22-23H,1H3,(H2,20,21,24)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344371
PNG
(2-(3-fluorophenyl)-N-(7-hydroxynaphthalen-1-yl)ace...)
Show SMILES Oc1ccc2cccc(NC(=O)Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C18H14FNO2/c19-14-5-1-3-12(9-14)10-18(22)20-17-6-2-4-13-7-8-15(21)11-16(13)17/h1-9,11,21H,10H2,(H,20,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344360
PNG
(1-(2,6-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C17H12Cl2N2O2/c18-13-4-2-5-14(19)16(13)21-17(23)20-15-6-1-3-10-7-8-11(22)9-12(10)15/h1-9,22H,(H2,20,21,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344375
PNG
(1-(3-fluorophenyl)-3-(3-hydroxybenzyl)urea | CHEMB...)
Show SMILES Oc1cccc(CNC(=O)Nc2cccc(F)c2)c1
Show InChI InChI=1S/C14H13FN2O2/c15-11-4-2-5-12(8-11)17-14(19)16-9-10-3-1-6-13(18)7-10/h1-8,18H,9H2,(H2,16,17,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair