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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'neelands' and Initial = 'tr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20458
PNG
(1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
Show InChI InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
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7 -46.5n/an/a 5n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20464
PNG
((2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyri...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1
Show InChI InChI=1S/C23H21F3N4O/c24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18/h4-12,15H,1-3,13-14H2,(H,28,31)/b11-8+
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27 -43.2n/an/a 34n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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47 -41.8n/an/a 11n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20465
PNG
(1-[(1R,2S)-6-fluoro-1-{[3-(trifluoromethyl)phenyl]...)
Show SMILES Fc1ccc2[C@@H](Cc3cccc(c3)C(F)(F)F)[C@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
Show InChI InChI=1S/C28H23F4N3O/c29-21-8-9-22-18(15-21)7-10-26(24(22)14-17-3-1-5-20(13-17)28(30,31)32)35-27(36)34-25-6-2-4-19-16-33-12-11-23(19)25/h1-6,8-9,11-13,15-16,24,26H,7,10,14H2,(H2,34,35,36)/t24-,26+/m1/s1
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58 -41.3n/an/a 46n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20285
PNG
(Resiniferatoxin | [(1R,2R,6R,10S,11R,15R,17R)-13-b...)
Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)c(OC)c3)=C[C@@]21[H])C(C)=C |c:47,t:23,TLB:11:3:12.14.13:44,THB:4:3:12.14.13:44|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1
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65 -41.0n/an/a 24n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20466
PNG
(A-784168 | CHEMBL482834 | N-[4-(trifluoromethane)s...)
Show SMILES FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |c:14|
Show InChI InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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71 -40.8n/an/a 74n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20467
PNG
(3-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-1-...)
Show SMILES CC(C)(C)c1ccc2[C@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
Show InChI InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m0/s1
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112 -39.7n/an/a 34n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20459
PNG
(Tinyatoxin | [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl...)
Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)cc3)=C[C@@]21[H])C(C)=C |c:45,t:23,TLB:11:3:12.14.13:42,THB:4:3:12.14.13:42|
Show InChI InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35?,36-/m1/s1
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589 -35.6n/an/a 129n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20468
PNG
(3-(2-bromophenyl)-1-{2-[ethyl(3-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
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603 -35.5n/an/a 95n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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1.29E+3 -33.6n/an/a 282n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20460
PNG
((9Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
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1.59E+3 -33.1n/an/a 132n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20462
PNG
((5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]ic...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
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>6.31E+3>-29.7n/an/a 1.48E+3n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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2.00E+4 -26.8n/an/a 29n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056351
PNG
(CHEMBL3326569)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r|
Show InChI InChI=1/C21H20FN3O2/c1-21(2)11-18(16-10-14(22)6-7-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/s2
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n/an/a 2n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056358
PNG
(CHEMBL3326581)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc34)cccc2cn1 |r|
Show InChI InChI=1/C22H22FN3O2/c1-13-9-17-14(12-24-13)5-4-6-18(17)25-21(27)26-19-11-22(2,3)28-20-10-15(23)7-8-16(19)20/h4-10,12,19H,11H2,1-3H3,(H2,25,26,27)/t19-/s2
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n/an/a 3n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50232114
PNG
((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056352
PNG
(CHEMBL3326570)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1 |r|
Show InChI InChI=1/C21H20FN3O2/c1-21(2)11-18(16-7-6-14(22)10-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/s2
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n/an/a 4n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056434
PNG
(CHEMBL3326575)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccccc2O1 |r|
Show InChI InChI=1/C21H21N3O2/c1-21(2)12-18(16-7-3-4-9-19(16)26-21)24-20(25)23-17-8-5-6-14-13-22-11-10-15(14)17/h3-11,13,18H,12H2,1-2H3,(H2,23,24,25)/t18-/s2
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n/an/a 4n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056426
PNG
(CHEMBL3326589)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(ccc34)C3CC3)cccc2cn1 |r|
Show InChI InChI=1/C25H25F2N3O2/c1-15-9-20-18(12-28-15)3-2-4-21(20)29-24(31)30-22-11-25(13-26,14-27)32-23-10-17(16-5-6-16)7-8-19(22)23/h2-4,7-10,12,16,22H,5-6,11,13-14H2,1H3,(H2,29,30,31)/t22-/s2
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n/an/a 5n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056387
PNG
(CHEMBL3326582)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(F)ccc34)cccc2cn1 |r|
Show InChI InChI=1/C22H21F2N3O2/c1-12-9-15-13(11-25-12)5-4-6-17(15)26-21(28)27-18-10-22(2,3)29-20-14(18)7-8-16(23)19(20)24/h4-9,11,18H,10H2,1-3H3,(H2,26,27,28)/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056389
PNG
(CHEMBL3326584)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(ccc34)C(F)(F)F)cccc2cn1 |r|
Show InChI InChI=1/C23H21F4N3O2/c1-12-9-15-13(11-28-12)5-4-6-17(15)29-21(31)30-18-10-22(2,3)32-20-14(18)7-8-16(19(20)24)23(25,26)27/h4-9,11,18H,10H2,1-3H3,(H2,29,30,31)/t18-/s2
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n/an/a 5n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056408
PNG
(CHEMBL3326587)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(F)ccc34)cccc2cn1 |r|
Show InChI InChI=1/C22H20F3N3O2/c1-13-7-17-14(10-26-13)3-2-4-18(17)27-21(29)28-19-9-22(11-23,12-24)30-20-8-15(25)5-6-16(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/s2
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n/an/a 5n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056353
PNG
(CHEMBL3326576)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(OC(F)(F)F)cc2O1 |r|
Show InChI InChI=1/C22H20F3N3O3/c1-21(2)11-18(16-7-6-14(10-19(16)31-21)30-22(23,24)25)28-20(29)27-17-5-3-4-13-12-26-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,27,28,29)/t18-/s2
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n/an/a 6n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056354
PNG
(CHEMBL3326577)
Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r|
Show InChI InChI=1/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/s2
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n/an/a 6n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056435
PNG
(CHEMBL3326574)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@H](O)Cc23)c2ccc(F)cc2O1 |r|
Show InChI InChI=1/C22H25FN2O3/c1-22(2)12-19(16-9-7-14(23)10-20(16)28-22)25-21(27)24-18-5-3-4-13-6-8-15(26)11-17(13)18/h3-5,7,9-10,15,19,26H,6,8,11-12H2,1-2H3,(H2,24,25,27)/t15-,19+/s2
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n/an/a 7n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056436
PNG
(CHEMBL3326573)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@@H](O)Cc23)c2ccc(F)cc2O1 |r|
Show InChI InChI=1/C22H25FN2O3/c1-22(2)12-19(16-9-7-14(23)10-20(16)28-22)25-21(27)24-18-5-3-4-13-6-8-15(26)11-17(13)18/h3-5,7,9-10,15,19,26H,6,8,11-12H2,1-2H3,(H2,24,25,27)/t15-,19-/s2
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n/an/a 7n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056437
PNG
(CHEMBL3326572)
Show SMILES CN1N=CC2C1C=CC=C2NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc12 |r,c:2,7,9|
Show InChI InChI=1/C20H23FN4O2/c1-20(2)10-16(13-8-7-12(21)9-18(13)27-20)24-19(26)23-15-5-4-6-17-14(15)11-22-25(17)3/h4-9,11,14,16-17H,10H2,1-3H3,(H2,23,24,26)/t14?,16-,17?/s2
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n/an/a 7n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056425
PNG
(CHEMBL3326588)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc2cn1 |r|
Show InChI InChI=1/C22H20ClF2N3O2/c1-13-7-17-14(10-26-13)3-2-4-18(17)27-21(29)28-19-9-22(11-24,12-25)30-20-8-15(23)5-6-16(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/s2
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n/an/a 9n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056386
PNG
(CHEMBL3325460)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(ccc34)C(F)(F)F)cccc2cn1 |r|
Show InChI InChI=1/C23H22F3N3O2/c1-13-9-17-14(12-27-13)5-4-6-18(17)28-21(30)29-19-11-22(2,3)31-20-10-15(23(24,25)26)7-8-16(19)20/h4-10,12,19H,11H2,1-3H3,(H2,28,29,30)/t19-/s2
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n/an/a 10n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056438
PNG
(CHEMBL3326571)
Show SMILES CC1(C)C[C@@H](NC(=O)NC2=CC=CC3NN=CC23)c2ccc(F)cc2O1 |r,c:11,15,t:9|
Show InChI InChI=1/C19H21FN4O2/c1-19(2)9-16(12-7-6-11(20)8-17(12)26-19)23-18(25)22-14-4-3-5-15-13(14)10-21-24-15/h3-8,10,13,15-16,24H,9H2,1-2H3,(H2,22,23,25)/t13?,15?,16-/s2
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n/an/a 16n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056391
PNG
(CHEMBL3326586)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc34)cccc2cn1 |r|
Show InChI InChI=1/C22H20F3N3O2/c1-13-7-16-14(10-26-13)3-2-4-18(16)27-21(29)28-19-9-22(11-23,12-24)30-20-6-5-15(25)8-17(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/s2
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056439
PNG
(CHEMBL3326568)
Show SMILES C[C@@H]1CN(CC=C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ncccc1Cl |r,c:5|
Show InChI InChI=1/C19H17ClF3N3O/c1-12-11-26(17-16(20)3-2-9-24-17)10-8-15(12)18(27)25-14-6-4-13(5-7-14)19(21,22)23/h2-9,12H,10-11H2,1H3,(H,25,27)/t12-/s2
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n/an/a 21n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056427
PNG
(CHEMBL3326909)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cccc34)cccc2cn1 |r|
Show InChI InChI=1/C22H20F3N3O2/c1-13-8-16-14(10-26-13)4-2-7-18(16)27-21(29)28-19-9-22(11-23,12-24)30-20-15(19)5-3-6-17(20)25/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/s2
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n/an/a 22n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056429
PNG
(CHEMBL3326914)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)c(F)ccc2cn1 |r|
Show InChI InChI=1/C22H19ClF3N3O2/c1-12-6-16-13(9-27-12)2-5-17(26)20(16)29-21(30)28-18-8-22(10-24,11-25)31-19-7-14(23)3-4-15(18)19/h2-7,9,18H,8,10-11H2,1H3,(H2,28,29,30)/t18-/s2
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n/an/a 22n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056388
PNG
(CHEMBL3326583)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)cc(F)cc34)cccc2cn1 |r|
Show InChI InChI=1/C22H21F2N3O2/c1-12-7-15-13(11-25-12)5-4-6-18(15)26-21(28)27-19-10-22(2,3)29-20-16(19)8-14(23)9-17(20)24/h4-9,11,19H,10H2,1-3H3,(H2,26,27,28)/t19-/s2
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n/an/a 32n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056390
PNG
(CHEMBL3326585)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(OC(F)(F)F)ccc34)cccc2cn1 |r|
Show InChI InChI=1/C23H22F3N3O3/c1-13-9-17-14(12-27-13)5-4-6-18(17)28-21(30)29-19-11-22(2,3)32-20-10-15(7-8-16(19)20)31-23(24,25)26/h4-10,12,19H,11H2,1-3H3,(H2,28,29,30)/t19-/s2
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n/an/a 32n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056356
PNG
(CHEMBL3326579)
Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1 |r|
Show InChI InChI=1/C24H26FN3O2/c1-4-24(5-2)13-21(17-9-7-10-19(25)22(17)30-24)28-23(29)27-20-11-6-8-16-14-26-15(3)12-18(16)20/h6-12,14,21H,4-5,13H2,1-3H3,(H2,27,28,29)/t21-/s2
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n/an/a 34n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056428
PNG
(CHEMBL3326915)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc(cc2cn1)C(F)(F)F |r|
Show InChI InChI=1/C23H19ClF5N3O2/c1-12-4-17-13(9-30-12)5-14(23(27,28)29)6-18(17)31-21(33)32-19-8-22(10-25,11-26)34-20-7-15(24)2-3-16(19)20/h2-7,9,19H,8,10-11H2,1H3,(H2,31,32,33)/t19-/s2
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n/an/a 36n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056355
PNG
(CHEMBL3326578)
Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cc(F)ccc2O1 |r|
Show InChI InChI=1/C24H26FN3O2/c1-4-24(5-2)13-21(19-12-17(25)9-10-22(19)30-24)28-23(29)27-20-8-6-7-16-14-26-15(3)11-18(16)20/h6-12,14,21H,4-5,13H2,1-3H3,(H2,27,28,29)/t21-/s2
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n/an/a 40n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056431
PNG
(CHEMBL3326912)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc(F)cc2cn1 |r|
Show InChI InChI=1/C22H19ClF3N3O2/c1-12-4-17-13(9-27-12)5-15(26)7-18(17)28-21(30)29-19-8-22(10-24,11-25)31-20-6-14(23)2-3-16(19)20/h2-7,9,19H,8,10-11H2,1H3,(H2,28,29,30)/t19-/s2
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n/an/a 60n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056433
PNG
(CHEMBL3326910)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)c(C)ccc2cn1 |r|
Show InChI InChI=1/C23H22ClF2N3O2/c1-13-3-4-15-10-27-14(2)7-18(15)21(13)29-22(30)28-19-9-23(11-25,12-26)31-20-8-16(24)5-6-17(19)20/h3-8,10,19H,9,11-12H2,1-2H3,(H2,28,29,30)/t19-/s2
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n/an/a 74n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50056353
PNG
(CHEMBL3326576)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(OC(F)(F)F)cc2O1 |r|
Show InChI InChI=1/C22H20F3N3O3/c1-21(2)11-18(16-7-6-14(10-19(16)31-21)30-22(23,24)25)28-20(29)27-17-5-3-4-13-12-26-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,27,28,29)/t18-/s2
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n/an/a 80n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50056354
PNG
(CHEMBL3326577)
Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r|
Show InChI InChI=1/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/s2
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n/an/a<80n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50056351
PNG
(CHEMBL3326569)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r|
Show InChI InChI=1/C21H20FN3O2/c1-21(2)11-18(16-10-14(22)6-7-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/s2
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n/an/a<80n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50056352
PNG
(CHEMBL3326570)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1 |r|
Show InChI InChI=1/C21H20FN3O2/c1-21(2)11-18(16-7-6-14(22)10-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/s2
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n/an/a<80n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using AMMC substrate and NADPH incubated up to 2 hrs


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056432
PNG
(CHEMBL3326911)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)ccc(C)c2cn1 |r|
Show InChI InChI=1/C23H22ClF2N3O2/c1-13-3-6-19(17-7-14(2)27-10-18(13)17)28-22(30)29-20-9-23(11-25,12-26)31-21-8-15(24)4-5-16(20)21/h3-8,10,20H,9,11-12H2,1-2H3,(H2,28,29,30)/t20-/s2
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n/an/a 97n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056357
PNG
(CHEMBL3326580)
Show SMILES CCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1 |r|
Show InChI InChI=1/C26H30FN3O2/c1-4-12-26(13-5-2)15-23(19-9-7-10-21(27)24(19)32-26)30-25(31)29-22-11-6-8-18-16-28-17(3)14-20(18)22/h6-11,14,16,23H,4-5,12-13,15H2,1-3H3,(H2,29,30,31)/t23-/s2
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n/an/a 150n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM50187697
PNG
(CHEMBL3828278)
Show SMILES O[C@H](c1ccccn1)C1(CCC1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C16H15Cl2NO/c17-12-6-5-11(10-13(12)18)16(7-3-8-16)15(20)14-4-1-2-9-19-14/h1-2,4-6,9-10,15,20H,3,7-8H2/t15-/s2
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n/an/a 160n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV3 expressed in recombinant HEK293 cells assessed as inhibition of 2-APB induced calcium flux by FLIPR analysis


J Med Chem 59: 4926-47 (2016)


BindingDB Entry DOI: 10.7270/Q2765H90
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50056430
PNG
(CHEMBL3326913)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)c(Cl)ccc2cn1 |r|
Show InChI InChI=1/C22H19Cl2F2N3O2/c1-12-6-16-13(9-27-12)2-5-17(24)20(16)29-21(30)28-18-8-22(10-25,11-26)31-19-7-14(23)3-4-15(18)19/h2-7,9,18H,8,10-11H2,1H3,(H2,28,29,30)/t18-/s2
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n/an/a 350n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair
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