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PubMed code 21236666

Compile data set for download or QSAR
Found 32 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))
BDBM50336144
PNG
((1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336162
PNG
(4-chloro-N-cyclopentyl-5-(4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Cl
Show InChI InChI=1S/C16H14ClF3N2O2/c17-12-13(15(23)21-11-3-1-2-4-11)22-24-14(12)9-5-7-10(8-6-9)16(18,19)20/h5-8,11H,1-4H2,(H,21,23)
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PubMed
n/an/a 15n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336140
PNG
((1R,3S)-4-chloro-N-(3-hydroxycyclopentyl)-5-(4-(tr...)
Show SMILES O[C@H]1CC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336136
PNG
(4-chloro-N-(tetrahydro-2H-pyran-4-yl)-5-(4-(triflu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCOCC2)c1Cl
Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(23)21-11-5-7-24-8-6-11)22-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11H,5-8H2,(H,21,23)
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n/an/a 43n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336159
PNG
(4-bromo-N-cyclopentyl-5-(4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Br
Show InChI InChI=1S/C16H14BrF3N2O2/c17-12-13(15(23)21-11-3-1-2-4-11)22-24-14(12)9-5-7-10(8-6-9)16(18,19)20/h5-8,11H,1-4H2,(H,21,23)
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n/an/a 46n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336147
PNG
(CHEMBL1669535 | cis-(+/-)-4-chloro-N-(2-(hydroxyme...)
Show SMILES OC[C@H]1CCCC[C@H]1NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18ClF3N2O3/c19-14-15(17(26)23-13-4-2-1-3-11(13)9-25)24-27-16(14)10-5-7-12(8-6-10)18(20,21)22/h5-8,11,13,25H,1-4,9H2,(H,23,26)/t11-,13-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336141
PNG
((1S,3R)-4-chloro-N-(3-hydroxycyclopentyl)-5-(4-(tr...)
Show SMILES O[C@@H]1CC[C@@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11+/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336142
PNG
(CHEMBL1669530 | Cis-(+/-)-4-chloro-N-(2-hydroxycyc...)
Show SMILES O[C@@H]1CCCC[C@@H]1NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-3-1-2-4-12(11)24)23-26-15(13)9-5-7-10(8-6-9)17(19,20)21/h5-8,11-12,24H,1-4H2,(H,22,25)/t11-,12+/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336152
PNG
((1R,3S)-4-chloro-5-(3,4-difluorophenyl)-N-(3-hydro...)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H15ClF2N2O3/c17-13-14(16(23)20-9-2-1-3-10(22)7-9)21-24-15(13)8-4-5-11(18)12(19)6-8/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336134
PNG
(4-chloro-N-cyclobutyl-5-(4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCC2)c1Cl
Show InChI InChI=1S/C15H12ClF3N2O2/c16-11-12(14(22)20-10-2-1-3-10)21-23-13(11)8-4-6-9(7-5-8)15(17,18)19/h4-7,10H,1-3H2,(H,20,22)
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n/an/a 87n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336135
PNG
(4-chloro-N-cyclohexyl-5-(4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1onc(C(=O)NC2CCCCC2)c1Cl
Show InChI InChI=1S/C17H16ClF3N2O2/c18-13-14(16(24)22-12-4-2-1-3-5-12)23-25-15(13)10-6-8-11(9-7-10)17(19,20)21/h6-9,12H,1-5H2,(H,22,24)
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n/an/a 92n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336143
PNG
((1S,3R)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(tri...)
Show SMILES O[C@@H]1CCC[C@@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m0/s1
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n/an/a 112n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336161
PNG
(CHEMBL1669549 | N-cyclopentyl-4-fluoro-5-(4-(trifl...)
Show SMILES Fc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H14F4N2O2/c17-12-13(15(23)21-11-3-1-2-4-11)22-24-14(12)9-5-7-10(8-6-9)16(18,19)20/h5-8,11H,1-4H2,(H,21,23)
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n/an/a 112n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336148
PNG
(4-chloro-N-(3-hydroxyphenyl)-5-(4-(trifluoromethyl...)
Show SMILES Oc1cccc(NC(=O)c2noc(c2Cl)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C17H10ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h1-8,24H,(H,22,25)
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n/an/a 118n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336146
PNG
(CHEMBL1669534 | cis-(+/-)4-chloro-N-(3,5-dihydroxy...)
Show SMILES O[C@H]1C[C@@H](O)C[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O4/c18-13-14(16(26)22-10-5-11(24)7-12(25)6-10)23-27-15(13)8-1-3-9(4-2-8)17(19,20)21/h1-4,10-12,24-25H,5-7H2,(H,22,26)/t10-,11+,12-
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n/an/a 120n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336151
PNG
((1R,3S)-4-chloro-5-(4-fluorophenyl)-N-(3-hydroxycy...)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C16H16ClFN2O3/c17-13-14(16(22)19-11-2-1-3-12(21)8-11)20-23-15(13)9-4-6-10(18)7-5-9/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1
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n/an/a 141n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336145
PNG
(CHEMBL1669533 | trans-(+/-)4-chloro-N-(3-hydroxycy...)
Show SMILES O[C@H]1CCC[C@@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-2-1-3-12(24)8-11)23-26-15(13)9-4-6-10(7-5-9)17(19,20)21/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12-/m0/s1
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n/an/a 149n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336138
PNG
((1R,3R)-4-chloro-N-(3-hydroxycyclopentyl)-5-(4-(tr...)
Show SMILES O[C@@H]1CC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11-/m1/s1
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n/an/a 197n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336160
PNG
(CHEMBL1669548 | N-cyclopentyl-5-(4-(trifluoromethy...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(no1)C(=O)NC1CCCC1
Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-7-5-10(6-8-11)14-9-13(21-23-14)15(22)20-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,20,22)
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n/an/a 201n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336132
PNG
(4-chloro-N-(4-hydroxybutyl)-5-(4-(trifluoromethyl)...)
Show SMILES OCCCCNC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N2O3/c16-11-12(14(23)20-7-1-2-8-22)21-24-13(11)9-3-5-10(6-4-9)15(17,18)19/h3-6,22H,1-2,7-8H2,(H,20,23)
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n/an/a 238n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336153
PNG
((4-chloro-5-(4-(trifluoromethyl)phenyl)isoxazol-3-...)
Show SMILES OC1CCN(CC1)C(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)22-7-5-11(23)6-8-22)21-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11,23H,5-8H2
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n/an/a 263n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336155
PNG
(4-bromo-5-(4-chlorophenyl)-N-cyclopentylisoxazole-...)
Show SMILES Clc1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Br
Show InChI InChI=1S/C15H14BrClN2O2/c16-12-13(15(20)18-11-3-1-2-4-11)19-21-14(12)9-5-7-10(17)8-6-9/h5-8,11H,1-4H2,(H,18,20)
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n/an/a 370n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336156
PNG
(4-bromo-N-cyclopentyl-5-(4-fluorophenyl)isoxazole-...)
Show SMILES Fc1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Br
Show InChI InChI=1S/C15H14BrFN2O2/c16-12-13(15(20)18-11-3-1-2-4-11)19-21-14(12)9-5-7-10(17)8-6-9/h5-8,11H,1-4H2,(H,18,20)
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n/an/a 377n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336137
PNG
(CHEMBL1669526 | Trans-4-chloro-N-((1r,4r)-4-hydrox...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-5-7-12(24)8-6-11)23-26-15(13)9-1-3-10(4-2-9)17(19,20)21/h1-4,11-12,24H,5-8H2,(H,22,25)/t11-,12-
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n/an/a 392n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336150
PNG
((1R,3S)-4-chloro-5-(3,4-difluorophenyl)-N-(3-hydro...)
Show SMILES O[C@H]1CC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H13ClF2N2O3/c16-12-13(15(22)19-8-2-3-9(21)6-8)20-23-14(12)7-1-4-10(17)11(18)5-7/h1,4-5,8-9,21H,2-3,6H2,(H,19,22)/t8-,9+/m1/s1
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n/an/a 404n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336157
PNG
(4-bromo-5-(4-bromophenyl)-N-cyclopentylisoxazole-3...)
Show SMILES Brc1c(noc1-c1ccc(Br)cc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H14Br2N2O2/c16-10-7-5-9(6-8-10)14-12(17)13(19-21-14)15(20)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,18,20)
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n/an/a 410n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336149
PNG
((1R,3S)-4-chloro-5-(4-fluorophenyl)-N-(3-hydroxycy...)
Show SMILES O[C@H]1CC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN2O3/c16-12-13(15(21)18-10-5-6-11(20)7-10)19-22-14(12)8-1-3-9(17)4-2-8/h1-4,10-11,20H,5-7H2,(H,18,21)/t10-,11+/m1/s1
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n/an/a 434n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336131
PNG
(4-chloro-N-(3-hydroxypropyl)-5-(4-(trifluoromethyl...)
Show SMILES OCCCNC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H12ClF3N2O3/c15-10-11(13(22)19-6-1-7-21)20-23-12(10)8-2-4-9(5-3-8)14(16,17)18/h2-5,21H,1,6-7H2,(H,19,22)
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n/an/a 595n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336139
PNG
((1S,3S)-4-chloro-N-(3-hydroxycyclopentyl)-5-(4-(tr...)
Show SMILES O[C@H]1CC[C@@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)21-10-5-6-11(23)7-10)22-25-14(12)8-1-3-9(4-2-8)16(18,19)20/h1-4,10-11,23H,5-7H2,(H,21,24)/t10-,11-/m0/s1
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n/an/a 762n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336158
PNG
(4-bromo-N-cyclopentyl-5-(4-(trifluoromethoxy)pheny...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1onc(C(=O)NC2CCCC2)c1Br
Show InChI InChI=1S/C16H14BrF3N2O3/c17-12-13(15(23)21-10-3-1-2-4-10)22-25-14(12)9-5-7-11(8-6-9)24-16(18,19)20/h5-8,10H,1-4H2,(H,21,23)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336133
PNG
(4-chloro-N-(3-methoxypropyl)-5-(4-(trifluoromethyl...)
Show SMILES COCCCNC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H14ClF3N2O3/c1-23-8-2-7-20-14(22)12-11(16)13(24-21-12)9-3-5-10(6-4-9)15(17,18)19/h3-6H,2,7-8H2,1H3,(H,20,22)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50336154
PNG
(4-bromo-5-(3-chlorophenyl)-N-cyclopentylisoxazole-...)
Show SMILES Clc1cccc(c1)-c1onc(C(=O)NC2CCCC2)c1Br
Show InChI InChI=1S/C15H14BrClN2O2/c16-12-13(15(20)18-11-6-1-2-7-11)19-21-14(12)9-4-3-5-10(17)8-9/h3-5,8,11H,1-2,6-7H2,(H,18,20)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay


Bioorg Med Chem Lett 21: 892-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.092
BindingDB Entry DOI: 10.7270/Q2K074JC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%