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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'abernethy' and Initial = 'l'   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50418185
PNG
(CHEMBL1761695)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)16-9-7-15(8-10-16)21-19(13-27-12-14-3-1-4-14)20(29-32-21)22(31)28-17-5-2-6-18(30)11-17/h7-10,14,17-18,27,30H,1-6,11-13H2,(H,28,31)/t17-,18+/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50418184
PNG
(CHEMBL1761694)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c23-22(24,25)15-8-6-14(7-9-15)20-18(12-26-11-13-4-5-13)19(28-31-20)21(30)27-16-2-1-3-17(29)10-16/h6-9,13,16-17,26,29H,1-5,10-12H2,(H,27,30)/t16-,17+/m1/s1
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5.01E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50418183
PNG
(CHEMBL1761688)
Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50418183
PNG
(CHEMBL1761688)
Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1
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6.31E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled-dofetilide from human ERG


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418189
PNG
(CHEMBL1761696)
Show SMILES C[C@H](NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C21H23F6N3O3/c1-11(20(22,23)24)28-10-16-17(19(32)29-14-3-2-4-15(31)9-14)30-33-18(16)12-5-7-13(8-6-12)21(25,26)27/h5-8,11,14-15,28,31H,2-4,9-10H2,1H3,(H,29,32)/t11-,14+,15-/m0/s1
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n/an/a 0.158n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
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 0.501n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418961
PNG
(CHEMBL1807877)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)15-13(18)14(21-24-15)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1
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n/an/a 0.631n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418959
PNG
(CHEMBL1807875)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H15ClF4N2O3/c18-13-14(16(26)23-9-2-1-3-10(25)7-9)24-27-15(13)8-4-5-11(12(19)6-8)17(20,21)22/h4-6,9-10,25H,1-3,7H2,(H,23,26)/t9-,10+/m1/s1
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n/an/a 0.631n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418188
PNG
(CHEMBL1761693)
Show SMILES CC(C)CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C22H28F3N3O3/c1-13(2)11-26-12-18-19(21(30)27-16-4-3-5-17(29)10-16)28-31-20(18)14-6-8-15(9-7-14)22(23,24)25/h6-9,13,16-17,26,29H,3-5,10-12H2,1-2H3,(H,27,30)/t16-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418185
PNG
(CHEMBL1761695)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)16-9-7-15(8-10-16)21-19(13-27-12-14-3-1-4-14)20(29-32-21)22(31)28-17-5-2-6-18(30)11-17/h7-10,14,17-18,27,30H,1-6,11-13H2,(H,28,31)/t17-,18+/m1/s1
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n/an/a 1.26n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418981
PNG
(CHEMBL1807878)
Show SMILES Cc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C18H18F4N2O3/c1-9-15(17(26)23-11-3-2-4-12(25)8-11)24-27-16(9)10-5-6-13(14(19)7-10)18(20,21)22/h5-7,11-12,25H,2-4,8H2,1H3,(H,23,26)/t11-,12+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418193
PNG
(CHEMBL1761700)
Show SMILES CC(C)[C@H](CO)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C23H30F3N3O4/c1-13(2)19(12-30)27-11-18-20(22(32)28-16-4-3-5-17(31)10-16)29-33-21(18)14-6-8-15(9-7-14)23(24,25)26/h6-9,13,16-17,19,27,30-31H,3-5,10-12H2,1-2H3,(H,28,32)/t16-,17+,19+/m1/s1
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n/an/a 2.51n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
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))
BDBM50418194
PNG
(CHEMBL1761702)
Show SMILES CC(C)(CO)CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C23H30F3N3O4/c1-22(2,13-30)12-27-11-18-19(21(32)28-16-4-3-5-17(31)10-16)29-33-20(18)14-6-8-15(9-7-14)23(24,25)26/h6-9,16-17,27,30-31H,3-5,10-13H2,1-2H3,(H,28,32)/t16-,17+/m1/s1
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n/an/a 3.16n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418187
PNG
(CHEMBL1761691)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNC1CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H24F3N3O3/c22-21(23,24)13-6-4-12(5-7-13)19-17(11-25-14-8-9-14)18(27-30-19)20(29)26-15-2-1-3-16(28)10-15/h4-7,14-16,25,28H,1-3,8-11H2,(H,26,29)/t15-,16+/m1/s1
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n/an/a 3.16n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418965
PNG
(CHEMBL1807883)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C16H15Cl2FN2O3/c17-11-5-4-8(6-12(11)19)14-13(18)15(24-21-14)16(23)20-9-2-1-3-10(22)7-9/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1
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n/an/a 3.16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418964
PNG
(CHEMBL1807882)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H16ClF3N2O3/c18-13-14(9-4-6-10(7-5-9)17(19,20)21)23-26-15(13)16(25)22-11-2-1-3-12(24)8-11/h4-7,11-12,24H,1-3,8H2,(H,22,25)/t11-,12+/m1/s1
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n/an/a 3.98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418960
PNG
(CHEMBL1807876)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16Cl2N2O3/c17-10-6-4-9(5-7-10)15-13(18)14(20-23-15)16(22)19-11-2-1-3-12(21)8-11/h4-7,11-12,21H,1-3,8H2,(H,19,22)/t11-,12+/m1/s1
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n/an/a 5.01n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418202
PNG
(CHEMBL1761706)
Show SMILES CN(C[C@@H]1CCCO1)Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C24H30F3N3O4/c1-30(13-19-6-3-11-33-19)14-20-21(23(32)28-17-4-2-5-18(31)12-17)29-34-22(20)15-7-9-16(10-8-15)24(25,26)27/h7-10,17-19,31H,2-6,11-14H2,1H3,(H,28,32)/t17-,18+,19+/m1/s1
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n/an/a 5.01n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418196
PNG
(CHEMBL1761704)
Show SMILES COCCN(C)Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C22H28F3N3O4/c1-28(10-11-31-2)13-18-19(21(30)26-16-4-3-5-17(29)12-16)27-32-20(18)14-6-8-15(9-7-14)22(23,24)25/h6-9,16-17,29H,3-5,10-13H2,1-2H3,(H,26,30)/t16-,17+/m1/s1
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n/an/a 7.94n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418184
PNG
(CHEMBL1761694)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNCC1CC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c23-22(24,25)15-8-6-14(7-9-15)20-18(12-26-11-13-4-5-13)19(28-31-20)21(30)27-16-2-1-3-17(29)10-16/h6-9,13,16-17,26,29H,1-5,10-12H2,(H,27,30)/t16-,17+/m1/s1
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n/an/a 7.94n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418201
PNG
(CHEMBL1761701)
Show SMILES CC(C)[C@@H](CO)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C23H30F3N3O4/c1-13(2)19(12-30)27-11-18-20(22(32)28-16-4-3-5-17(31)10-16)29-33-21(18)14-6-8-15(9-7-14)23(24,25)26/h6-9,13,16-17,19,27,30-31H,3-5,10-12H2,1-2H3,(H,28,32)/t16-,17+,19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418192
PNG
(CHEMBL1761699)
Show SMILES OC(CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C(F)(F)F
Show InChI InChI=1S/C21H23F6N3O4/c22-20(23,24)12-6-4-11(5-7-12)18-15(9-28-10-16(32)21(25,26)27)17(30-34-18)19(33)29-13-2-1-3-14(31)8-13/h4-7,13-14,16,28,31-32H,1-3,8-10H2,(H,29,33)/t13-,14+,16?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418979
PNG
(CHEMBL1807879)
Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)N[C@@H]2CCC[C@H](O)C2)c1C
Show InChI InChI=1S/C19H23ClN2O4/c1-3-25-16-9-12(20)7-8-15(16)18-11(2)17(22-26-18)19(24)21-13-5-4-6-14(23)10-13/h7-9,13-14,23H,3-6,10H2,1-2H3,(H,21,24)/t13-,14+/m1/s1
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n/an/a 12.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418190
PNG
(CHEMBL1761697)
Show SMILES CN(Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCOC1
Show InChI InChI=1S/C23H28F3N3O4/c1-29(17-9-10-32-13-17)12-19-20(22(31)27-16-3-2-4-18(30)11-16)28-33-21(19)14-5-7-15(8-6-14)23(24,25)26/h5-8,16-18,30H,2-4,9-13H2,1H3,(H,27,31)/t16-,17-,18+/m1/s1
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n/an/a 12.6n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418963
PNG
(CHEMBL1807881)
Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCOCC2)c1C
Show InChI InChI=1S/C18H21ClN2O4/c1-3-24-15-10-12(19)4-5-14(15)17-11(2)16(21-25-17)18(22)20-13-6-8-23-9-7-13/h4-5,10,13H,3,6-9H2,1-2H3,(H,20,22)
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n/an/a 12.6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
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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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))
BDBM50418199
PNG
(CHEMBL1761692)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1CNC1CCC1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c23-22(24,25)14-9-7-13(8-10-14)20-18(12-26-15-3-1-4-15)19(28-31-20)21(30)27-16-5-2-6-17(29)11-16/h7-10,15-17,26,29H,1-6,11-12H2,(H,27,30)/t16-,17+/m1/s1
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n/an/a 15.8n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418973
PNG
(CHEMBL1807958)
Show SMILES CC(C)[C@H](C)NC(=O)c1noc(c1CO)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N2O3/c1-8(2)9(3)22-16(25)14-11(7-24)15(26-23-14)10-4-5-12(13(18)6-10)17(19,20)21/h4-6,8-9,24H,7H2,1-3H3,(H,22,25)/t9-/m0/s1
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n/an/a 19.9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
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))
BDBM50418186
PNG
(CHEMBL1761690)
Show SMILES CCN(Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C(C)C
Show InChI InChI=1S/C23H30F3N3O3/c1-4-29(14(2)3)13-19-20(22(31)27-17-6-5-7-18(30)12-17)28-32-21(19)15-8-10-16(11-9-15)23(24,25)26/h8-11,14,17-18,30H,4-7,12-13H2,1-3H3,(H,27,31)/t17-,18+/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418200
PNG
(CHEMBL1761689)
Show SMILES CC(C)N(C)Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C22H28F3N3O3/c1-13(2)28(3)12-18-19(21(30)26-16-5-4-6-17(29)11-16)27-31-20(18)14-7-9-15(10-8-14)22(23,24)25/h7-10,13,16-17,29H,4-6,11-12H2,1-3H3,(H,26,30)/t16-,17+/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418984
PNG
(CHEMBL1807959)
Show SMILES OCc1c(noc1-c1ccc(c(F)c1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H16F4N2O3/c18-13-7-9(5-6-12(13)17(19,20)21)15-11(8-24)14(23-26-15)16(25)22-10-3-1-2-4-10/h5-7,10,24H,1-4,8H2,(H,22,25)
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n/an/a 39.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
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))
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 50.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
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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PubMed
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))
BDBM50418183
PNG
(CHEMBL1761688)
Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1
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PubMed
n/an/a 63.1n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418977
PNG
(CHEMBL1807964)
Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](C)C(C)C
Show InChI InChI=1S/C20H26F3N3O2/c1-11(2)13(5)25-19(27)17-16(10-24-12(3)4)18(28-26-17)14-6-8-15(9-7-14)20(21,22)23/h6-9,11-13,24H,10H2,1-5H3,(H,25,27)/t13-/m0/s1
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n/an/a 63.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418183
PNG
(CHEMBL1761688)
Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C21H26F3N3O3/c1-12(2)25-11-17-18(20(29)26-15-4-3-5-16(28)10-15)27-30-19(17)13-6-8-14(9-7-13)21(22,23)24/h6-9,12,15-16,25,28H,3-5,10-11H2,1-2H3,(H,26,29)/t15-,16+/m1/s1
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n/an/a 63.1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
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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PubMed
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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PubMed
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))
BDBM50418966
PNG
(CHEMBL1807885)
Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
Show InChI InChI=1S/C18H19F3N2O4/c19-18(20,21)11-6-4-10(5-7-11)16-14(9-24)15(23-27-16)17(26)22-12-2-1-3-13(25)8-12/h4-7,12-13,24-25H,1-3,8-9H2,(H,22,26)/t12-,13+/m1/s1
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PubMed
n/an/a 79.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 4652-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.051
BindingDB Entry DOI: 10.7270/Q2M32X1M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50418191
PNG
(CHEMBL1761698)
Show SMILES CN(Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C1CCOCC1
Show InChI InChI=1S/C24H30F3N3O4/c1-30(18-9-11-33-12-10-18)14-20-21(23(32)28-17-3-2-4-19(31)13-17)29-34-22(20)15-5-7-16(8-6-15)24(25,26)27/h5-8,17-19,31H,2-4,9-14H2,1H3,(H,28,32)/t17-,19+/m1/s1
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PubMed
n/an/a 79.4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO-K1 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 21: 2559-63 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.112
BindingDB Entry DOI: 10.7270/Q2BR8TDN
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))
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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PubMed
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))
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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PubMed
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
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