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Compile Data Set for Download or QSAR

Found 1770 hits of ic50 data for polymerid = 2071   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50264967
PNG
((2S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)p...)
Show SMILES CC(C)CN1C(C)CC[C@H]1C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6O3S/c1-16(2)14-39-17(3)8-11-23(39)28(41)37-22-12-19(30(31,32)33)9-10-20(22)21-13-26(35-15-34-21)42-24-6-5-7-25-27(24)38-29(43-25)36-18(4)40/h5-7,9-10,12-13,15-17,23H,8,11,14H2,1-4H3,(H,37,41)(H,36,38,40)/t17?,23-/m0/s1
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n/an/a 0.0690n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188657
PNG
((R)-methyl 5-Chloro-6-(3-methyl-4-(6-(trifluoromet...)
Show SMILES COC(=O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20ClF6N5O2/c1-12-11-37(23-17(27)5-14(10-34-23)24(39)40-2)3-4-38(12)25-35-20-9-15(26(31,32)33)8-16(22(20)36-25)13-6-18(28)21(30)19(29)7-13/h5-10,12H,3-4,11H2,1-2H3,(H,35,36)/t12-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188657
PNG
((R)-methyl 5-Chloro-6-(3-methyl-4-(6-(trifluoromet...)
Show SMILES COC(=O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H20ClF6N5O2/c1-12-11-37(23-17(27)5-14(10-34-23)24(39)40-2)3-4-38(12)25-35-20-9-15(26(31,32)33)8-16(22(20)36-25)13-6-18(28)21(30)19(29)7-13/h5-10,12H,3-4,11H2,1-2H3,(H,35,36)/t12-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261646
PNG
((R)-3-Amino-5-(2-(1-methoxypropan-2-ylamino)-6-(4-...)
Show SMILES COC[C@@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O3/c1-12(11-34-2)28-22-30-16(13-6-8-14(9-7-13)23(24,25)26)10-18(31-22)35-17-5-3-4-15-19(17)32-20(27)21(33)29-15/h3-10,12H,11H2,1-2H3,(H2,27,32)(H,29,33)(H,28,30,31)/t12-/m1/s1
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n/an/a 0.300n/an/an/an/a5.0n/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261646
PNG
((R)-3-Amino-5-(2-(1-methoxypropan-2-ylamino)-6-(4-...)
Show SMILES COC[C@@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O3/c1-12(11-34-2)28-22-30-16(13-6-8-14(9-7-13)23(24,25)26)10-18(31-22)35-17-5-3-4-15-19(17)32-20(27)21(33)29-15/h3-10,12H,11H2,1-2H3,(H2,27,32)(H,29,33)(H,28,30,31)/t12-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50264925
PNG
((S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)
Show SMILES CC(C)CN1CCC[C@H]1C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N6O3S/c1-16(2)14-38-11-5-6-22(38)27(40)36-21-12-18(29(30,31)32)9-10-19(21)20-13-25(34-15-33-20)41-23-7-4-8-24-26(23)37-28(42-24)35-17(3)39/h4,7-10,12-13,15-16,22H,5-6,11,14H2,1-3H3,(H,36,40)(H,35,37,39)/t22-/m0/s1
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n/an/a 0.360n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50191713
PNG
(CHEMBL214989 | N-(4-tert-butylphenyl)-4-[3-(N-meth...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2N(S(C)(=O)=O)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H27N3O5S2/c1-24(2,3)19-12-14-20(15-13-19)26-23(28)18-10-8-17(9-11-18)22-21(7-6-16-25-22)27(33(4,29)30)34(5,31)32/h6-16H,1-5H3,(H,26,28)
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n/an/a 0.400n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against low pH(5.0-5.5)-activated rat VR1


Bioorg Med Chem Lett 16: 5217-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50241325
PNG
(CHEMBL251348 | N-(4-(2-(1-isobutyl-1,2,3,6-tetrahy...)
Show SMILES CC(C)CN1CCC(=CC1)c1nc(Oc2cccc3sc(NC(C)=O)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H28F3N5O2S/c1-17(2)16-37-13-11-20(12-14-37)27-34-22(19-7-9-21(10-8-19)29(30,31)32)15-25(35-27)39-23-5-4-6-24-26(23)36-28(40-24)33-18(3)38/h4-11,15,17H,12-14,16H2,1-3H3,(H,33,36,38)
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n/an/a 0.400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50265041
PNG
(CHEMBL525804 | N-(4-(6-(2-(1-(pyridin-2-yl)ethylam...)
Show SMILES CC(Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F)c1ccccn1
Show InChI InChI=1S/C27H21F3N6O2S/c1-15(19-6-3-4-11-31-19)34-21-12-17(27(28,29)30)9-10-18(21)20-13-24(33-14-32-20)38-22-7-5-8-23-25(22)36-26(39-23)35-16(2)37/h3-15,34H,1-2H3,(H,35,36,37)
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n/an/a 0.480n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/a5.0n/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254080
PNG
((3,5-dichloro-4-(7-(4-(trifluoromethyl)phenylamino...)
Show SMILES OCc1cc(Cl)c(Nc2nc3c(Nc4ccc(cc4)C(F)(F)F)ncnc3s2)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2F3N5OS/c20-12-5-9(7-30)6-13(21)14(12)28-18-29-15-16(25-8-26-17(15)31-18)27-11-3-1-10(2-4-11)19(22,23)24/h1-6,8,30H,7H2,(H,28,29)(H,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50254419
PNG
(CHEMBL511391 | N2-(2,6-dichlorophenyl)-N7-(4-(pyrr...)
Show SMILES Clc1cccc(Cl)c1Nc1nc2c(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)ncnc2s1
Show InChI InChI=1S/C21H18Cl2N6O2S2/c22-15-4-3-5-16(23)17(15)27-21-28-18-19(24-12-25-20(18)32-21)26-13-6-8-14(9-7-13)33(30,31)29-10-1-2-11-29/h3-9,12H,1-2,10-11H2,(H,27,28)(H,24,25,26)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50272850
PNG
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33)
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n/an/a 0.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor assessed as inhibition of low pH-induced activation


Bioorg Med Chem Lett 18: 4573-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.5n/an/an/an/a5.0n/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of pH 5 acid-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50264927
PNG
((R)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)
Show SMILES CC(C)CN1CCC[C@@H]1C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N6O3S/c1-16(2)14-38-11-5-6-22(38)27(40)36-21-12-18(29(30,31)32)9-10-19(21)20-13-25(34-15-33-20)41-23-7-4-8-24-26(23)37-28(42-24)35-17(3)39/h4,7-10,12-13,15-16,22H,5-6,11,14H2,1-3H3,(H,36,40)(H,35,37,39)/t22-/m1/s1
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n/an/a 0.530n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.570n/an/an/an/an/an/a



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.570n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261150
PNG
(3-Amino-5-(2-(2-methoxyethylamino)-6-(4-(trifluoro...)
Show SMILES COCCNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N6O3/c1-33-10-9-27-21-29-15(12-5-7-13(8-6-12)22(23,24)25)11-17(30-21)34-16-4-2-3-14-18(16)31-19(26)20(32)28-14/h2-8,11H,9-10H2,1H3,(H2,26,31)(H,28,32)(H,27,29,30)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188711
PNG
((R)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluoromet...)
Show SMILES C[C@@H](O)c1cnc(N2CCN([C@H](C)C2)c2nc3c(cc(cc3[nH]2)C(F)(F)F)-c2cc(F)c(F)c(F)c2)c(Cl)c1
Show InChI InChI=1S/C26H22ClF6N5O/c1-12-11-37(24-18(27)5-15(10-34-24)13(2)39)3-4-38(12)25-35-21-9-16(26(31,32)33)8-17(23(21)36-25)14-6-19(28)22(30)20(29)7-14/h5-10,12-13,39H,3-4,11H2,1-2H3,(H,35,36)/t12-,13-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50225031
PNG
(CHEMBL251565 | tert-butyl 4-(4-(2-acetamidobenzo[d...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(nc(n3)C3=CCN(CC3)C(=O)OC(C)(C)C)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C30H28F3N5O4S/c1-17(39)34-27-37-25-22(6-5-7-23(25)43-27)41-24-16-21(18-8-10-20(11-9-18)30(31,32)33)35-26(36-24)19-12-14-38(15-13-19)28(40)42-29(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,34,37,39)
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of acid induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.640n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20554
PNG
(3-amino-5-({6-[4-(trifluoromethyl)phenyl]pyrimidin...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C19H12F3N5O2/c20-19(21,22)11-6-4-10(5-7-11)13-8-15(25-9-24-13)29-14-3-1-2-12-16(14)27-17(23)18(28)26-12/h1-9H,(H2,23,27)(H,26,28)
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n/an/a 0.640n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3515-27 (2007)


Article DOI: 10.1021/jm070190p
BindingDB Entry DOI: 10.7270/Q2RN364D
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50264965
PNG
((S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)
Show SMILES CC(C)CN1CCC[C@@]1(C)C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6O3S/c1-17(2)15-39-12-6-11-29(39,4)27(41)37-22-13-19(30(31,32)33)9-10-20(22)21-14-25(35-16-34-21)42-23-7-5-8-24-26(23)38-28(43-24)36-18(3)40/h5,7-10,13-14,16-17H,6,11-12,15H2,1-4H3,(H,37,41)(H,36,38,40)/t29-/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261266
PNG
(CHEMBL466743 | N-(2-(6-(3-Amino-2-oxo-1,2-dihydroq...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)c3ccccn3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C25H16F3N7O3/c26-25(27,28)13-7-8-14(18(10-13)34-23(36)16-4-1-2-9-30-16)17-11-20(32-12-31-17)38-19-6-3-5-15-21(19)35-22(29)24(37)33-15/h1-12H,(H2,29,35)(H,33,37)(H,34,36)
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188674
PNG
((R)-(6-(3-methyl-4-(6-(trifluoromethyl)-4-(3,4,5-t...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(CO)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F9N5O/c1-12-10-39(23-17(26(33,34)35)4-13(11-41)9-36-23)2-3-40(12)24-37-20-8-15(25(30,31)32)7-16(22(20)38-24)14-5-18(27)21(29)19(28)6-14/h4-9,12,41H,2-3,10-11H2,1H3,(H,37,38)/t12-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261266
PNG
(CHEMBL466743 | N-(2-(6-(3-Amino-2-oxo-1,2-dihydroq...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)c3ccccn3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C25H16F3N7O3/c26-25(27,28)13-7-8-14(18(10-13)34-23(36)16-4-1-2-9-30-16)17-11-20(32-12-31-17)38-19-6-3-5-15-21(19)35-22(29)24(37)33-15/h1-12H,(H2,29,35)(H,33,37)(H,34,36)
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261295
PNG
(3-Amino-5-(6-(2-(2-methoxyethylamino)-6-(trifluoro...)
Show SMILES COCCNc1nc(ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N7O3/c1-33-8-7-26-19-11(5-6-15(30-19)21(22,23)24)13-9-16(28-10-27-13)34-14-4-2-3-12-17(14)31-18(25)20(32)29-12/h2-6,9-10H,7-8H2,1H3,(H2,25,31)(H,26,30)(H,29,32)
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n/an/a 0.700n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 0.700n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261294
PNG
(3-Amino-5-(6-(2-amino-6-(trifluoromethyl)pyridin-3...)
Show SMILES Nc1nc(ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C18H12F3N7O2/c19-18(20,21)12-5-4-8(15(22)27-12)10-6-13(25-7-24-10)30-11-3-1-2-9-14(11)28-16(23)17(29)26-9/h1-7H,(H2,22,27)(H2,23,28)(H,26,29)
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261296
PNG
(3-Amino-5-(6-(2-((R)-tetrahydrofuran-3-ylamino)-6-...)
Show SMILES Nc1nc2c(Oc3cc(ncn3)-c3ccc(nc3N[C@@H]3CCCO3)C(F)(F)F)cccc2[nH]c1=O
Show InChI InChI=1S/C22H18F3N7O3/c23-22(24,25)15-7-6-11(20(30-15)31-16-5-2-8-34-16)13-9-17(28-10-27-13)35-14-4-1-3-12-18(14)32-19(26)21(33)29-12/h1,3-4,6-7,9-10,16H,2,5,8H2,(H2,26,32)(H,29,33)(H,30,31)/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261150
PNG
(3-Amino-5-(2-(2-methoxyethylamino)-6-(4-(trifluoro...)
Show SMILES COCCNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N6O3/c1-33-10-9-27-21-29-15(12-5-7-13(8-6-12)22(23,24)25)11-17(30-21)34-16-4-2-3-14-18(16)31-19(26)20(32)28-14/h2-8,11H,9-10H2,1H3,(H2,26,31)(H,28,32)(H,27,29,30)
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261149
PNG
((S)-3-Amino-5-(2-(1-methoxypropan-2-ylamino)-6-(4-...)
Show SMILES COC[C@H](C)Nc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N6O3/c1-12(11-34-2)28-22-30-16(13-6-8-14(9-7-13)23(24,25)26)10-18(31-22)35-17-5-3-4-15-19(17)32-20(27)21(33)29-15/h3-10,12H,11H2,1-2H3,(H2,27,32)(H,29,33)(H,28,30,31)/t12-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188717
PNG
((R)-(5-chloro-6-(4-(4-(dibenzylamino)-6-(trifluoro...)
Show SMILES C[C@@H]1CN(CCN1c1nc2cc(cc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
Show InChI InChI=1S/C33H32ClF3N6O/c1-22-18-41(31-27(34)14-25(21-44)17-38-31)12-13-43(22)32-39-28-15-26(33(35,36)37)16-29(30(28)40-32)42(19-23-8-4-2-5-9-23)20-24-10-6-3-7-11-24/h2-11,14-17,22,44H,12-13,18-21H2,1H3,(H,39,40)/t22-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188650
PNG
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO
Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced 45calcium ion uptake in CHO cells expressing rat TRPV1


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188650
PNG
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO
Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against acid-induced 45calcium ion uptake in CHO cells expressing rat TRPV1 at pH5


J Med Chem 49: 3719-42 (2006)


Article DOI: 10.1021/jm060065y
BindingDB Entry DOI: 10.7270/Q2JD4XK1
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced 45Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 18: 5118-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.112
BindingDB Entry DOI: 10.7270/Q27D2TXQ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50261317
PNG
(3-Amino-5-(6-(2-((1-isobutylpiperidin-2-yl)methyla...)
Show SMILES CC(C)CN1CCCCC1CNc1nc(ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N8O2/c1-16(2)14-39-11-4-3-6-17(39)13-33-26-18(9-10-22(37-26)28(29,30)31)20-12-23(35-15-34-20)41-21-8-5-7-19-24(21)38-25(32)27(40)36-19/h5,7-10,12,15-17H,3-4,6,11,13-14H2,1-2H3,(H2,32,38)(H,33,37)(H,36,40)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx


J Med Chem 51: 2744-57 (2008)


Article DOI: 10.1021/jm7014638
BindingDB Entry DOI: 10.7270/Q2930SZH
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of capsaicin induced calcium influx


Bioorg Med Chem Lett 17: 6539-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.080
BindingDB Entry DOI: 10.7270/Q2FX7961
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188650
PNG
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO
Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of capsaicin-induced receptor activation by [45Ca2+] uptake assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50188650
PNG
((R,S)-1-(5-chloro-6-((R)-3-methyl-4-(6-(trifluorom...)
Show SMILES C[C@@H]1CN(CCN1c1nc2c(cc(cc2[nH]1)C(F)(F)F)-c1cc(F)c(F)c(F)c1)c1ncc(cc1Cl)C(O)CO
Show InChI InChI=1S/C26H22ClF6N5O2/c1-12-10-37(24-17(27)4-14(9-34-24)21(40)11-39)2-3-38(12)25-35-20-8-15(26(31,32)33)7-16(23(20)36-25)13-5-18(28)22(30)19(29)6-13/h4-9,12,21,39-40H,2-3,10-11H2,1H3,(H,35,36)/t12-,21?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as blockade of acid-induced receptor activation by [45Ca2+] uptake assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/a7.422



Amgen



Assay Description
TRPV1 activities were monitored as a function of cellular uptake of radioactive calcium (45Ca2+). The test compounds were preincubated with TRPV1 exp...


J Med Chem 50: 3528-39 (2007)


Article DOI: 10.1021/jm070191h
BindingDB Entry DOI: 10.7270/Q2MW2FF4
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20557
PNG
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium mobilization


Bioorg Med Chem Lett 18: 1830-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.022
BindingDB Entry DOI: 10.7270/Q2FB53SJ
More data for this
Ligand-Target Pair
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