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Compile Data Set for Download or QSAR

Found 931 hits with Last Name = 'cho' and Initial = 'sh'   
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))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of N-acetyldopamine-induced activity after 5 mins by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12 |r|
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046377
PNG
(CHEMBL3314406)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=C[C@H](C)CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1/C24H27F4N3O3S/c1-14-5-4-6-17(11-14)22-18(8-10-21(30-22)24(26,27)28)13-29-23(32)15(2)16-7-9-20(19(25)12-16)31-35(3,33)34/h7-12,14-15,31H,4-6,13H2,1-3H3,(H,29,32)/t14-,15?/s2
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046396
PNG
(CHEMBL3314411)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1/C25H29F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-9,13,15,32H,10-12,14H2,1-4H3,(H,30,33)/t15-/s2
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046379
PNG
(CHEMBL3314407)
Show SMILES CCC1CCC(=CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |c:5|
Show InChI InChI=1/C25H29F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h7,9-13,15-16,32H,4-6,8,14H2,1-3H3,(H,30,33)
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046394
PNG
(CHEMBL3314409)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1/C27H33F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h6,8-9,12-14,16,20,34H,7,10-11,15H2,1-5H3,(H,32,35)/t16-,20?/s2
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0.100n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM92596
PNG
(Sapintoxin D)
Show SMILES CCCC(=O)O[C@@]12C(C3CC(=O)C[C@@]4(O)C(C=C(C)C4=O)[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |r,t:16|
Show InChI InChI=1S/C31H39NO8/c1-7-10-23(34)40-31-24(28(31,4)5)20-14-18(33)15-29(37)22(13-16(2)25(29)35)30(20,38)17(3)26(31)39-27(36)19-11-8-9-12-21(19)32-6/h8-9,11-13,17,20,22,24,26,32,37-38H,7,10,14-15H2,1-6H3/t17-,20?,22?,24?,26+,29+,30-,31-/m0/s1
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0.140 -54.9n/an/an/an/an/a7.418



National Institutes of Health



Assay Description
[3H]PDBu binding to the C1 domains of MRCK alpha/beta and PKC alpha/delta was measured using the polyethylene glycol precipitation assay.


J Biol Chem 283: 10543-9 (2008)


Article DOI: 10.1074/jbc.M707463200
BindingDB Entry DOI: 10.7270/Q2CF9NQ6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046366
PNG
(CHEMBL3314404)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1=CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,t:13|
Show InChI InChI=1/C24H27F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h6,8-12,14-15,31H,4-5,7,13H2,1-3H3,(H,29,32)/t14?,15-/s2
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398552
PNG
(CHEMBL2178059)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccc(F)c(F)c2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H30F6N4O3S/c1-17(20-4-7-25(24(32)15-20)38-43(2,41)42)28(40)36-16-21-5-8-26(29(33,34)35)37-27(21)39-11-9-18(10-12-39)13-19-3-6-22(30)23(31)14-19/h3-8,14-15,17-18,38H,9-13,16H2,1-2H3,(H,36,40)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398553
PNG
(CHEMBL2177441)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccc(C)cc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C30H34F4N4O3S/c1-19-4-6-21(7-5-19)16-22-12-14-38(15-13-22)28-24(9-11-27(36-28)30(32,33)34)18-35-29(39)20(2)23-8-10-26(25(31)17-23)37-42(3,40)41/h4-11,17,20,22,37H,12-16,18H2,1-3H3,(H,35,39)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046375
PNG
(CHEMBL3314405)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CC(C)CCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1/C24H27F4N3O3S/c1-14-5-4-6-17(11-14)22-18(8-10-21(30-22)24(26,27)28)13-29-23(32)15(2)16-7-9-20(19(25)12-16)31-35(3,33)34/h7-12,14-15,31H,4-6,13H2,1-3H3,(H,29,32)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046299
PNG
(CHEMBL3314393)
Show SMILES CCC1CCC(CC1)c1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r,wU:18.20,(10.24,-14.41,;8.9,-13.63,;8.91,-12.08,;7.58,-11.3,;7.58,-9.77,;8.92,-9,;10.25,-9.76,;10.24,-11.31,;8.92,-7.46,;7.59,-6.69,;7.59,-5.14,;8.92,-4.37,;10.25,-5.13,;10.26,-6.68,;11.59,-7.45,;12.92,-6.68,;14.26,-7.45,;14.26,-8.99,;15.59,-6.68,;15.59,-5.14,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,)|
Show InChI InChI=1/C25H31F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h9-13,15-17,32H,4-8,14H2,1-3H3,(H,30,33)/t15-,16?,17?/s2
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398484
PNG
(CHEMBL2177440)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2ccccc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H32F4N4O3S/c1-19(22-8-10-25(24(30)17-22)36-41(2,39)40)28(38)34-18-23-9-11-26(29(31,32)33)35-27(23)37-14-12-21(13-15-37)16-20-6-4-3-5-7-20/h3-11,17,19,21,36H,12-16,18H2,1-2H3,(H,34,38)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046295
PNG
(CHEMBL3314389)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of N-arachidonoyl dopamine-induced increase in intracellular Ca2+ le...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046395
PNG
(CHEMBL3314410)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1/C25H29F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-9,13,15,32H,10-12,14H2,1-4H3,(H,30,33)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398511
PNG
(CHEMBL2178063)
Show SMILES CCCN(CCC)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H30F4N4O3S/c1-5-11-31(12-6-2)21-17(8-10-20(29-21)23(25,26)27)14-28-22(32)15(3)16-7-9-19(18(24)13-16)30-35(4,33)34/h7-10,13,15,30H,5-6,11-12,14H2,1-4H3,(H,28,32)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23 |r,wD:7.6,(8.92,-16.19,;8.45,-14.73,;9.36,-13.48,;8.42,-12.13,;8.87,-10.66,;7.99,-9.38,;6.46,-9.26,;5.89,-7.83,;4.36,-7.61,;3.8,-6.17,;4.77,-4.97,;6.29,-5.2,;6.84,-6.63,;5.89,-5.6,;5.13,-6.93,;5.4,-10.41,;3.93,-9.96,;5.64,-11.94,;4.31,-12.71,;4.31,-14.25,;2.98,-15.02,;5.64,-15.02,;6.97,-14.25,;6.98,-12.7,)|
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398494
PNG
(CHEMBL2177429)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046388
PNG
(CHEMBL3314408)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1/C27H33F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h6,8-9,12-14,16,20,34H,7,10-11,15H2,1-5H3,(H,32,35)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046282
PNG
(CHEMBL3314377)
Show SMILES CC(C(=O)NCc1ccc(nc1Cl)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C17H16ClF4N3O3S/c1-9(10-3-5-13(12(19)7-10)25-29(2,27)28)16(26)23-8-11-4-6-14(17(20,21)22)24-15(11)18/h3-7,9,25H,8H2,1-2H3,(H,23,26)
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0.200n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046296
PNG
(CHEMBL3314390)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)/t14-/s2
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
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0.300n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand


J Med Chem 41: 1439-45 (1998)


Article DOI: 10.1021/jm970180w
BindingDB Entry DOI: 10.7270/Q2WH2P4P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398506
PNG
(CHEMBL2178068)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCCC1C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C22H26F4N4O3S/c1-13-5-4-10-30(13)20-16(7-9-19(28-20)22(24,25)26)12-27-21(31)14(2)15-6-8-18(17(23)11-15)29-34(3,32)33/h6-9,11,13-14,29H,4-5,10,12H2,1-3H3,(H,27,31)/t13?,14-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398497
PNG
(CHEMBL2177425)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC=CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |c:16|
Show InChI InChI=1S/C22H24F4N4O3S/c1-14(15-6-8-18(17(23)12-15)29-34(2,32)33)21(31)27-13-16-7-9-19(22(24,25)26)28-20(16)30-10-4-3-5-11-30/h3-4,6-9,12,14,29H,5,10-11,13H2,1-2H3,(H,27,31)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398493
PNG
(CHEMBL2177430)
Show SMILES C[C@@H](C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C23H28F4N4O3S/c1-14-8-10-31(11-9-14)21-17(5-7-20(29-21)23(25,26)27)13-28-22(32)15(2)16-4-6-19(18(24)12-16)30-35(3,33)34/h4-7,12,14-15,30H,8-11,13H2,1-3H3,(H,28,32)/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398491
PNG
(CHEMBL2177432)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30F4N4O3S/c1-15(16-5-7-19(18(25)13-16)31-36(4,34)35)22(33)29-14-17-6-8-20(24(26,27)28)30-21(17)32-11-9-23(2,3)10-12-32/h5-8,13,15,31H,9-12,14H2,1-4H3,(H,29,33)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398489
PNG
(CHEMBL2177435)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC(CC1)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C28H30F4N4O3S/c1-18(21-8-10-24(23(29)16-21)35-40(2,38)39)27(37)33-17-22-9-11-25(28(30,31)32)34-26(22)36-14-12-20(13-15-36)19-6-4-3-5-7-19/h3-11,16,18,20,35H,12-15,17H2,1-2H3,(H,33,37)/t18-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398498
PNG
(CHEMBL2177424)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C22H26F4N4O3S/c1-14(15-6-8-18(17(23)12-15)29-34(2,32)33)21(31)27-13-16-7-9-19(22(24,25)26)28-20(16)30-10-4-3-5-11-30/h6-9,12,14,29H,3-5,10-11,13H2,1-2H3,(H,27,31)/t14-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046341
PNG
(CHEMBL3314403)
Show SMILES CC(C(=O)NCc1ccc(nc1C1=CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |t:13|
Show InChI InChI=1/C24H27F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h6,8-12,14-15,31H,4-5,7,13H2,1-3H3,(H,29,32)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046304
PNG
(CHEMBL3314398)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1C1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1/C25H31F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-8,13,15-16,32H,9-12,14H2,1-4H3,(H,30,33)/t15-/s2
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046302
PNG
(CHEMBL3314396)
Show SMILES CC(C(=O)NCc1ccc(nc1[C@H]1CC[C@@H](CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r,wU:12.12,wD:15.19,(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.68,;8.92,-7.46,;8.92,-8.99,;10.25,-9.76,;10.24,-11.31,;8.91,-12.07,;7.58,-11.3,;7.58,-9.76,;8.9,-13.63,;10.24,-14.41,;7.55,-14.4,;8.9,-15.18,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.91,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.25,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.24,-6.67,)|
Show InChI InChI=1/C27H35F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h8-9,12-14,16-17,20,34H,6-7,10-11,15H2,1-5H3,(H,32,35)/t16?,17-,20-
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046298
PNG
(CHEMBL3314392)
Show SMILES CCC1CCC(CC1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |(10.24,-14.41,;8.9,-13.63,;8.91,-12.08,;7.58,-11.3,;7.58,-9.77,;8.92,-9,;10.25,-9.76,;10.24,-11.31,;8.92,-7.46,;7.59,-6.69,;7.59,-5.14,;8.92,-4.37,;10.25,-5.13,;10.26,-6.68,;11.59,-7.45,;12.92,-6.68,;14.26,-7.45,;14.26,-8.99,;15.59,-6.68,;15.59,-5.14,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,)|
Show InChI InChI=1/C25H31F4N3O3S/c1-4-16-5-7-17(8-6-16)23-19(10-12-22(31-23)25(27,28)29)14-30-24(33)15(2)18-9-11-21(20(26)13-18)32-36(3,34)35/h9-13,15-17,32H,4-8,14H2,1-3H3,(H,30,33)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046300
PNG
(CHEMBL3314394)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(CC1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.68,;8.92,-7.46,;8.92,-8.99,;7.58,-9.76,;7.58,-11.3,;8.91,-12.07,;10.24,-11.31,;10.25,-9.76,;8.9,-13.63,;10.24,-14.41,;7.55,-14.4,;8.9,-15.18,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.91,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.25,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.24,-6.67,)|
Show InChI InChI=1/C27H35F4N3O3S/c1-16(18-8-12-22(21(28)14-18)34-38(5,36)37)25(35)32-15-19-9-13-23(27(29,30)31)33-24(19)17-6-10-20(11-7-17)26(2,3)4/h8-9,12-14,16-17,20,34H,6-7,10-11,15H2,1-5H3,(H,32,35)
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046303
PNG
(CHEMBL3314397)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(C)(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C25H31F4N3O3S/c1-15(17-5-7-20(19(26)13-17)32-36(4,34)35)23(33)30-14-18-6-8-21(25(27,28)29)31-22(18)16-9-11-24(2,3)12-10-16/h5-8,13,15-16,32H,9-12,14H2,1-4H3,(H,30,33)
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398551
PNG
(CHEMBL2177402)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(Cc2cc(F)cc(F)c2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H30F6N4O3S/c1-17(20-3-5-25(24(32)14-20)38-43(2,41)42)28(40)36-16-21-4-6-26(29(33,34)35)37-27(21)39-9-7-18(8-10-39)11-19-12-22(30)15-23(31)13-19/h3-6,12-15,17-18,38H,7-11,16H2,1-2H3,(H,36,40)
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046297
PNG
(CHEMBL3314391)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |(15.59,-5.14,;15.59,-6.68,;14.26,-7.45,;14.26,-8.99,;12.92,-6.68,;11.59,-7.45,;10.26,-6.68,;10.25,-5.13,;8.92,-4.37,;7.59,-5.14,;7.59,-6.69,;8.92,-7.46,;8.92,-9,;7.58,-9.77,;7.58,-11.3,;8.91,-12.08,;8.9,-13.63,;10.24,-11.31,;10.25,-9.76,;6.25,-4.37,;6.25,-2.83,;4.92,-5.14,;4.92,-3.6,;16.93,-7.44,;16.92,-8.98,;18.25,-9.75,;19.59,-8.98,;20.92,-9.75,;22.26,-8.97,;23.59,-9.74,;23.02,-7.64,;21.48,-7.64,;19.58,-7.43,;20.91,-6.66,;18.25,-6.67,)|
Show InChI InChI=1/C24H29F4N3O3S/c1-14-4-6-16(7-5-14)22-18(9-11-21(30-22)24(26,27)28)13-29-23(32)15(2)17-8-10-20(19(25)12-17)31-35(3,33)34/h8-12,14-16,31H,4-7,13H2,1-3H3,(H,29,32)
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398498
PNG
(CHEMBL2177424)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C22H26F4N4O3S/c1-14(15-6-8-18(17(23)12-15)29-34(2,32)33)21(31)27-13-16-7-9-19(22(24,25)26)28-20(16)30-10-4-3-5-11-30/h6-9,12,14,29H,3-5,10-11,13H2,1-2H3,(H,27,31)/t14-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398549
PNG
(CHEMBL2177404)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(F)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H25F5N4O3S/c1-13(14-3-5-18(17(24)11-14)30-35(2,33)34)21(32)28-12-15-4-6-19(22(25,26)27)29-20(15)31-9-7-16(23)8-10-31/h3-6,11,13,16,30H,7-10,12H2,1-2H3,(H,28,32)
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0.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM93624
PNG
(5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4...)
Show SMILES Cc1nc[nH]c1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50052024
PNG
(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1 |r|
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]-LTD4 radioligand


J Med Chem 41: 1439-45 (1998)


Article DOI: 10.1021/jm970180w
BindingDB Entry DOI: 10.7270/Q2WH2P4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014552
PNG
(CHEMBL3261483 | US9045501, 8)
Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|
Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014558
PNG
(ALOSETRON | CHEBI:253342 | Lotronex | US9045501, A...)
Show SMILES Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
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0.5n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.074
BindingDB Entry DOI: 10.7270/Q2DZ09VX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398510
PNG
(CHEMBL2178064)
Show SMILES CCCCN(CCCC)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C25H34F4N4O3S/c1-5-7-13-33(14-8-6-2)23-19(10-12-22(31-23)25(27,28)29)16-30-24(34)17(3)18-9-11-21(20(26)15-18)32-37(4,35)36/h9-12,15,17,32H,5-8,13-14,16H2,1-4H3,(H,30,34)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046295
PNG
(CHEMBL3314389)
Show SMILES CC(C(=O)NCc1ccc(nc1C1CCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H27F4N3O3S/c1-14(16-8-10-19(18(24)12-16)30-34(2,32)33)22(31)28-13-17-9-11-20(23(25,26)27)29-21(17)15-6-4-3-5-7-15/h8-12,14-15,30H,3-7,13H2,1-2H3,(H,28,31)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398507
PNG
(CHEMBL2178067)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H24F4N4O3S/c1-13(14-5-7-17(16(22)11-14)28-33(2,31)32)20(30)26-12-15-6-8-18(21(23,24)25)27-19(15)29-9-3-4-10-29/h5-8,11,13,28H,3-4,9-10,12H2,1-2H3,(H,26,30)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50046289
PNG
(CHEMBL3314383)
Show SMILES CC(C(=O)NCc1ccc(nc1CCC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1/C23H29F4N3O3S/c1-14(15-6-8-19(17(24)12-15)30-34(5,32)33)21(31)28-13-16-7-9-20(23(25,26)27)29-18(16)10-11-22(2,3)4/h6-9,12,14,30H,10-11,13H2,1-5H3,(H,28,31)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR a...


Bioorg Med Chem Lett 24: 4039-43 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.074
BindingDB Entry DOI: 10.7270/Q2B859RZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398488
PNG
(CHEMBL2177436)
Show SMILES C[C@@H](C(=O)NCc1ccc(nc1N1CCC(CC1)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C28H30F4N4O3S/c1-18(21-8-10-24(23(29)16-21)35-40(2,38)39)27(37)33-17-22-9-11-25(28(30,31)32)34-26(22)36-14-12-20(13-15-36)19-6-4-3-5-7-19/h3-11,16,18,20,35H,12-15,17H2,1-2H3,(H,33,37)/t18-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398548
PNG
(CHEMBL2177405)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(CC1)C(F)(F)F)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H25F7N4O3S/c1-13(14-3-5-18(17(24)11-14)33-38(2,36)37)21(35)31-12-15-4-6-19(23(28,29)30)32-20(15)34-9-7-16(8-10-34)22(25,26)27/h3-6,11,13,16,33H,7-10,12H2,1-2H3,(H,31,35)
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0.600n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398536
PNG
(CHEMBL2177419)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCCCCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30F4N4O3S/c1-16(17-8-10-20(19(25)14-17)31-36(2,34)35)23(33)29-15-18-9-11-21(24(26,27)28)30-22(18)32-12-6-4-3-5-7-13-32/h8-11,14,16,31H,3-7,12-13,15H2,1-2H3,(H,29,33)
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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
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