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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50026970   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(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 |r|
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
Transient receptor potential cation channel subfamily V member 1


(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 |r|
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
Transient receptor potential cation channel subfamily V member 1


(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
Transient receptor potential cation channel subfamily V member 1


(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
Transient receptor potential cation channel subfamily V member 1


(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 |r|
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
Transient receptor potential cation channel subfamily V member 1


(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 |r|
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
Transient receptor potential cation channel subfamily V member 1


(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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50265003
PNG
(CHEMBL500900 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)c3ccccn3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C26H17F3N6O3S/c1-14(36)33-25-35-23-20(6-4-7-21(23)39-25)38-22-12-18(31-13-32-22)16-9-8-15(26(27,28)29)11-19(16)34-24(37)17-5-2-3-10-30-17/h2-13H,1H3,(H,34,37)(H,33,35,36)
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n/an/a 1n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264968
PNG
(CHEMBL500380 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)C3CCC(C)(C)N3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C27H25F3N6O3S/c1-14(37)33-25-35-23-20(5-4-6-21(23)40-25)39-22-12-18(31-13-32-22)16-8-7-15(27(28,29)30)11-19(16)34-24(38)17-9-10-26(2,3)36-17/h4-8,11-13,17,36H,9-10H2,1-3H3,(H,34,38)(H,33,35,37)
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n/an/a 1.20n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264966
PNG
((2S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)p...)
Show SMILES CC1CC[C@H](N1)C(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H23F3N6O3S/c1-13-6-9-17(32-13)24(37)34-19-10-15(26(27,28)29)7-8-16(19)18-11-22(31-12-30-18)38-20-4-3-5-21-23(20)35-25(39-21)33-14(2)36/h3-5,7-8,10-13,17,32H,6,9H2,1-2H3,(H,34,37)(H,33,35,36)/t13?,17-/m0/s1
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n/an/a 2.40n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264964
PNG
((S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)[C@]3(C)CCCN3)C(F)(F)F)cccc2s1 |r|
Show InChI InChI=1S/C26H23F3N6O3S/c1-14(36)33-24-35-22-19(5-3-6-20(22)39-24)38-21-12-17(30-13-31-21)16-8-7-15(26(27,28)29)11-18(16)34-23(37)25(2)9-4-10-32-25/h3,5-8,11-13,32H,4,9-10H2,1-2H3,(H,34,37)(H,33,35,36)/t25-/m0/s1
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n/an/a 2.80n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264889
PNG
(CHEMBL496135 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)
Show SMILES CN(C)CC(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N6O3S/c1-13(34)30-23-32-22-18(5-4-6-19(22)37-23)36-21-10-16(28-12-29-21)15-8-7-14(24(25,26)27)9-17(15)31-20(35)11-33(2)3/h4-10,12H,11H2,1-3H3,(H,31,35)(H,30,32,34)
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n/an/a 4.20n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264926
PNG
((R)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)[C@H]3CCCN3)C(F)(F)F)cccc2s1 |r|
Show InChI InChI=1S/C25H21F3N6O3S/c1-13(35)32-24-34-22-19(5-2-6-20(22)38-24)37-21-11-17(30-12-31-21)15-8-7-14(25(26,27)28)10-18(15)33-23(36)16-4-3-9-29-16/h2,5-8,10-12,16,29H,3-4,9H2,1H3,(H,33,36)(H,32,34,35)/t16-/m1/s1
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n/an/a 8.20n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264851
PNG
(CHEMBL482411 | N-(4-(6-(6-(trifluoromethyl)pyridin...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(nc3)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C19H12F3N5O2S/c1-10(28)26-18-27-17-13(3-2-4-14(17)30-18)29-16-7-12(24-9-25-16)11-5-6-15(23-8-11)19(20,21)22/h2-9H,1H3,(H,26,27,28)
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n/an/a 10n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264924
PNG
((S)-N-(2-(6-(2-acetamidobenzo[d]thiazol-4-yloxy)py...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)[C@@H]3CCCN3)C(F)(F)F)cccc2s1 |r|
Show InChI InChI=1S/C25H21F3N6O3S/c1-13(35)32-24-34-22-19(5-2-6-20(22)38-24)37-21-11-17(30-12-31-21)15-8-7-14(25(26,27)28)10-18(15)33-23(36)16-4-3-9-29-16/h2,5-8,10-12,16,29H,3-4,9H2,1H3,(H,33,36)(H,32,34,35)/t16-/m0/s1
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n/an/a 13n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50265006
PNG
((R)-N-(4-(6-(2-((1-isobutylpyrrolidin-2-yl)methyla...)
Show SMILES CC(C)CN1CCC[C@@H]1CNc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r|
Show InChI InChI=1S/C29H31F3N6O2S/c1-17(2)15-38-11-5-6-20(38)14-33-22-12-19(29(30,31)32)9-10-21(22)23-13-26(35-16-34-23)40-24-7-4-8-25-27(24)37-28(41-25)36-18(3)39/h4,7-10,12-13,16-17,20,33H,5-6,11,14-15H2,1-3H3,(H,36,37,39)/t20-/m1/s1
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n/an/a 17n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50265004
PNG
(CHEMBL497567 | N-(4-(6-(2-(2-(dimethylamino)ethyla...)
Show SMILES CN(C)CCNc1nc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N7O2S/c1-13(34)30-22-32-20-16(5-4-6-17(20)36-22)35-19-11-15(28-12-29-19)14-7-8-18(23(24,25)26)31-21(14)27-9-10-33(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,27,31)(H,30,32,34)
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n/an/a 63n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264890
PNG
(CHEMBL522726 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)
Show SMILES CN(C)CCC(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O3S/c1-14(35)31-24-33-23-19(5-4-6-20(23)38-24)37-22-12-17(29-13-30-22)16-8-7-15(25(26,27)28)11-18(16)32-21(36)9-10-34(2)3/h4-8,11-13H,9-10H2,1-3H3,(H,32,36)(H,31,33,35)
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n/an/a 130n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50265005
PNG
(CHEMBL496525 | N-(4-(6-(2-(3-(dimethylamino)propyl...)
Show SMILES CN(C)CCCNc1nc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N7O2S/c1-14(35)31-23-33-21-17(6-4-7-18(21)37-23)36-20-12-16(29-13-30-20)15-8-9-19(24(25,26)27)32-22(15)28-10-5-11-34(2)3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,28,32)(H,31,33,35)
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n/an/a 210n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50265007
PNG
((S)-N-(4-(6-(2-(((1-isobutylpyrrolidin-2-yl)methyl...)
Show SMILES CC(C)CN1CCC[C@H]1CN(C)c1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H33F3N6O2S/c1-18(2)15-39-12-6-7-21(39)16-38(4)24-13-20(30(31,32)33)10-11-22(24)23-14-27(35-17-34-23)41-25-8-5-9-26-28(25)37-29(42-26)36-19(3)40/h5,8-11,13-14,17-18,21H,6-7,12,15-16H2,1-4H3,(H,36,37,40)/t21-/m0/s1
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n/an/a 280n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264923
PNG
(CHEMBL499309 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)
Show SMILES CN(C)CCCC(=O)Nc1cc(ccc1-c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N6O3S/c1-15(36)32-25-34-24-20(6-4-7-21(24)39-25)38-23-13-18(30-14-31-23)17-10-9-16(26(27,28)29)12-19(17)33-22(37)8-5-11-35(2)3/h4,6-7,9-10,12-14H,5,8,11H2,1-3H3,(H,33,37)(H,32,34,36)
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n/an/a 520n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50264888
PNG
(CHEMBL522078 | N-(2-(6-(2-acetamidobenzo[d]thiazol...)
Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3NC(=O)CN)C(F)(F)F)cccc2s1
Show InChI InChI=1S/C22H17F3N6O3S/c1-11(32)29-21-31-20-16(3-2-4-17(20)35-21)34-19-8-14(27-10-28-19)13-6-5-12(22(23,24)25)7-15(13)30-18(33)9-26/h2-8,10H,9,26H2,1H3,(H,30,33)(H,29,31,32)
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n/an/a>4.00E+3n/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