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PubMed code 21723725

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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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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))
BDBM50418983
PNG
(CHEMBL1807954)
Show SMILES CC(C)[C@H](C)NC(=O)c1noc(c1CO)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O3/c1-9(2)10(3)21-16(24)14-13(8-23)15(25-22-14)11-4-6-12(7-5-11)17(18,19)20/h4-7,9-10,23H,8H2,1-3H3,(H,21,24)/t10-/m0/s1
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n/an/a 126n/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))
BDBM50418974
PNG
(CHEMBL1807960)
Show SMILES CC[C@H](CO)NC(=O)c1noc(c1CO)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C16H16F4N2O4/c1-2-9(6-23)21-15(25)13-10(7-24)14(26-22-13)8-3-4-11(12(17)5-8)16(18,19)20/h3-5,9,23-24H,2,6-7H2,1H3,(H,21,25)/t9-/m1/s1
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n/an/a 158n/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))
BDBM50418970
PNG
(CHEMBL1807955)
Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H17F3N2O3/c18-17(19,20)11-7-5-10(6-8-11)15-13(9-23)14(22-25-15)16(24)21-12-3-1-2-4-12/h5-8,12,23H,1-4,9H2,(H,21,24)
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n/an/a 158n/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))
BDBM50418962
PNG
(CHEMBL1807880)
Show SMILES CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCC(O)CC2)c1C
Show InChI InChI=1S/C19H23ClN2O4/c1-3-25-16-10-12(20)4-9-15(16)18-11(2)17(22-26-18)19(24)21-13-5-7-14(23)8-6-13/h4,9-10,13-14,23H,3,5-8H2,1-2H3,(H,21,24)
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n/an/a 200n/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))
BDBM50418985
PNG
(CHEMBL1807965)
Show SMILES CC(C)NCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C20H24F3N3O2/c1-12(2)24-11-16-17(19(27)25-15-5-3-4-6-15)26-28-18(16)13-7-9-14(10-8-13)20(21,22)23/h7-10,12,15,24H,3-6,11H2,1-2H3,(H,25,27)
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n/an/a 316n/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))
BDBM50418982
PNG
(CHEMBL1807884)
Show SMILES O[C@H]1CCC[C@H](C1)NC(=O)c1onc(c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C16H16ClFN2O3/c17-13-14(9-4-6-10(18)7-5-9)20-23-15(13)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 794n/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))
BDBM50418978
PNG
(CHEMBL1807966)
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-/m1/s1
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n/an/a 794n/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))
BDBM50418971
PNG
(CHEMBL1807956)
Show SMILES CC(O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C18H19F3N2O3/c1-10(24)14-15(17(25)22-13-4-2-3-5-13)23-26-16(14)11-6-8-12(9-7-11)18(19,20)21/h6-10,13,24H,2-5H2,1H3,(H,22,25)
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n/an/a 1.00E+3n/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))
BDBM50418976
PNG
(CHEMBL1807963)
Show SMILES OC(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H15F3N2O4/c18-17(19,20)10-7-5-9(6-8-10)14-12(16(24)25)13(22-26-14)15(23)21-11-3-1-2-4-11/h5-8,11H,1-4H2,(H,21,23)(H,24,25)
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n/an/a 1.58E+3n/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))
BDBM50418968
PNG
(CHEMBL1807887)
Show SMILES CC[C@H](CO)NC(=O)c1noc(c1CO)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2O4/c1-2-11(7-22)20-15(24)13-12(8-23)14(25-21-13)9-3-5-10(6-4-9)16(17,18)19/h3-6,11,22-23H,2,7-8H2,1H3,(H,20,24)/t11-/m1/s1
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n/an/a 1.58E+3n/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))
BDBM50418967
PNG
(CHEMBL1807886)
Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCC(O)CC1
Show InChI InChI=1S/C18H19F3N2O4/c19-18(20,21)11-3-1-10(2-4-11)16-14(9-24)15(23-27-16)17(26)22-12-5-7-13(25)8-6-12/h1-4,12-13,24-25H,5-9H2,(H,22,26)
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n/an/a 1.58E+3n/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))
BDBM50418980
PNG
(CHEMBL1807962)
Show SMILES CN(C)C(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H20F3N3O3/c1-25(2)18(27)14-15(17(26)23-13-5-3-4-6-13)24-28-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13H,3-6H2,1-2H3,(H,23,26)
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n/an/a 2.00E+3n/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))
BDBM50418969
PNG
(CHEMBL1807953)
Show SMILES OCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCOCC1
Show InChI InChI=1S/C17H17F3N2O4/c18-17(19,20)11-3-1-10(2-4-11)15-13(9-23)14(22-26-15)16(24)21-12-5-7-25-8-6-12/h1-4,12,23H,5-9H2,(H,21,24)
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n/an/a 3.16E+3n/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))
BDBM50418972
PNG
(CHEMBL1807957)
Show SMILES CC(C)(O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H21F3N2O3/c1-18(2,26)14-15(17(25)23-13-5-3-4-6-13)24-27-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13,26H,3-6H2,1-2H3,(H,23,25)
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n/an/a 5.01E+3n/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))
BDBM50418975
PNG
(CHEMBL1807961)
Show SMILES CCNC(=O)c1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)NC1CCCC1
Show InChI InChI=1S/C19H20F3N3O3/c1-2-23-17(26)14-15(18(27)24-13-5-3-4-6-13)25-28-16(14)11-7-9-12(10-8-11)19(20,21)22/h7-10,13H,2-6H2,1H3,(H,23,26)(H,24,27)
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n/an/a 5.01E+3n/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
* indicates data uncertainty>20%