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Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'cortright' and Initial = 'd'   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50202412
PNG
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50127438
PNG
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20|
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)
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0.590n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50127438
PNG
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)
Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20|
Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45)
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0.920n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50202412
PNG
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50323836
PNG
(3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-4-14(28-8-10)30-12-5-7-27-17-16(12)29-9-13(31-17)15-11(19(23,24)25)2-1-6-26-15/h1-9H,(H,27,28,30,31)
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n/an/a 0.200n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315610
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31)
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n/an/a 0.210n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315616
PNG
(3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-14-7-9-28-18-17(14)29-10-15(31-18)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30,31)
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n/an/a 0.230n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272889
PNG
(2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)...)
Show SMILES CC(C)OCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H20F6N4O/c1-14(2)36-13-21-34-20-12-15(22-19(25(29,30)31)4-3-11-32-22)5-10-18(20)23(35-21)33-17-8-6-16(7-9-17)24(26,27)28/h3-12,14H,13H2,1-2H3,(H,33,34,35)
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n/an/a 0.300n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272976
PNG
(2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoro...)
Show SMILES CC1CN(Cc2nc(Nc3ccc(cc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)CC(C)O1
Show InChI InChI=1S/C28H25F6N5O/c1-16-13-39(14-17(2)40-16)15-24-37-23-12-18(25-22(28(32,33)34)4-3-11-35-25)5-10-21(23)26(38-24)36-20-8-6-19(7-9-20)27(29,30)31/h3-12,16-17H,13-15H2,1-2H3,(H,36,37,38)
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n/an/a 0.400n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


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



Neurogen Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


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



Neurogen Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272890
PNG
(2-(benzyloxymethyl)-N-(4-(trifluoromethyl)phenyl)-...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(COCc3ccccc3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C29H20F6N4O/c30-28(31,32)20-9-11-21(12-10-20)37-27-22-13-8-19(26-23(29(33,34)35)7-4-14-36-26)15-24(22)38-25(39-27)17-40-16-18-5-2-1-3-6-18/h1-15H,16-17H2,(H,37,38,39)
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n/an/a 0.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272848
PNG
(2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifl...)
Show SMILES Cc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H14F6N4/c1-12-30-18-11-13(19-17(22(26,27)28)3-2-10-29-19)4-9-16(18)20(31-12)32-15-7-5-14(6-8-15)21(23,24)25/h2-11H,1H3,(H,30,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315608
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(cnc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-5-13(6-4-12)31-18-17-15(29-10-30-18)8-11(9-28-17)16-14(20(24,25)26)2-1-7-27-16/h1-10H,(H,29,30,31)
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n/an/a 0.630n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 0.800n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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n/an/a 0.800n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191713
PNG
(CHEMBL214989 | N-(4-tert-butylphenyl)-4-[3-(N-meth...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2N(S(C)(=O)=O)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H27N3O5S2/c1-24(2,3)19-12-14-20(15-13-19)26-23(28)18-10-8-17(9-11-18)22-21(7-6-16-25-22)27(33(4,29)30)34(5,31)32/h6-16H,1-5H3,(H,26,28)
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n/an/a 0.800n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-activated human VR1 by FLIPR assay


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(RAT)
BDBM50264141
PNG
(1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6...)
Show SMILES O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 |t:34|
Show InChI InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34)
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PubMed
n/an/a 0.800n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315609
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-17-13-7-8-15(31-18(13)29-10-28-17)16-14(20(24,25)26)2-1-9-27-16/h1-10H,(H,28,29,30,31)
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n/an/a 0.830n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273167
PNG
((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 0.850n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272851
PNG
(2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(...)
Show SMILES CCOCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H18F6N4O/c1-2-35-13-20-33-19-12-14(21-18(24(28,29)30)4-3-11-31-21)5-10-17(19)22(34-20)32-16-8-6-15(7-9-16)23(25,26)27/h3-12H,2,13H2,1H3,(H,32,33,34)
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n/an/a 0.900n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50191748
PNG
(CHEMBL214331 | N-(4-tert-butylphenyl)-4-(3-fluorop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2F)cc1
Show InChI InChI=1S/C22H21FN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 1n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273251
PNG
(2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin...)
Show SMILES CC(C)OCc1nc(Nc2ccc(nc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H19F6N5O/c1-13(2)36-12-20-34-18-10-14(21-17(23(25,26)27)4-3-9-31-21)5-7-16(18)22(35-20)33-15-6-8-19(32-11-15)24(28,29)30/h3-11,13H,12H2,1-2H3,(H,33,34,35)
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n/an/a 1n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273213
PNG
(2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(t...)
Show SMILES C[C@H]1CN(Cc2nc(Nc3ccc(cn3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C27H24F6N6O/c1-15-12-39(13-16(2)40-15)14-23-36-21-10-17(24-20(27(31,32)33)4-3-9-34-24)5-7-19(21)25(38-23)37-22-8-6-18(11-35-22)26(28,29)30/h3-11,15-16H,12-14H2,1-2H3,(H,35,36,37,38)/t15-,16+
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n/an/a 1n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 1.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-activated human VR1 by FLIPR assay


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273085
PNG
(2-((diethylamino)methyl)-N-(4-(trifluoromethyl)phe...)
Show SMILES CCN(CC)Cc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H23F6N5/c1-3-37(4-2)15-22-35-21-14-16(23-20(26(30,31)32)6-5-13-33-23)7-12-19(21)24(36-22)34-18-10-8-17(9-11-18)25(27,28)29/h5-14H,3-4,15H2,1-2H3,(H,34,35,36)
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n/an/a 1.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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n/an/a 1.30n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50191726
PNG
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272850
PNG
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33)
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n/an/a 1.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272850
PNG
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33)
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n/an/a 1.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315612
PNG
(7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31)
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n/an/a 1.65n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50264189
PNG
(5-(2-chlorobenzamido)-4-methyl-N-(2-(1-(1-methylpi...)
Show SMILES CN1CCC(CC1)N1CCC(CCNC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2C)CC1
Show InChI InChI=1S/C25H35ClN6O2/c1-17-22(29-30-23(17)28-24(33)20-5-3-4-6-21(20)26)25(34)27-12-7-18-8-15-32(16-9-18)19-10-13-31(2)14-11-19/h3-6,18-19H,7-16H2,1-2H3,(H,27,34)(H2,28,29,30,33)
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n/an/a 1.80n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human bradykinin B1 receptor


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273285
PNG
(2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(t...)
Show SMILES C[C@H]1CN(Cc2nc(Nc3ccc(nc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C27H24F6N6O/c1-15-12-39(13-16(2)40-15)14-23-37-21-10-17(24-20(26(28,29)30)4-3-9-34-24)5-7-19(21)25(38-23)36-18-6-8-22(35-11-18)27(31,32)33/h3-11,15-16H,12-14H2,1-2H3,(H,36,37,38)/t15-,16+
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Macaca fascicularis)
BDBM50264141
PNG
(1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6...)
Show SMILES O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 |t:34|
Show InChI InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34)
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at Cynomolgus monkey bradykinin B1 receptor expressed in CHO cells assessed as calcium transient by FLIPR assay


Bioorg Med Chem Lett 18: 5027-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272974
PNG
(2-(2-methoxyethyl)-N-(4-(trifluoromethyl)phenyl)-7...)
Show SMILES COCCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H18F6N4O/c1-35-12-10-20-33-19-13-14(21-18(24(28,29)30)3-2-11-31-21)4-9-17(19)22(34-20)32-16-7-5-15(6-8-16)23(25,26)27/h2-9,11,13H,10,12H2,1H3,(H,32,33,34)
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273166
PNG
(2-(3-((2S,6R)-2,6-dimethylmorpholino)propyl)-N-(4-...)
Show SMILES C[C@H]1CN(CCCc2nc(Nc3ccc(cc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C30H29F6N5O/c1-18-16-41(17-19(2)42-18)14-4-6-26-39-25-15-20(27-24(30(34,35)36)5-3-13-37-27)7-12-23(25)28(40-26)38-22-10-8-21(9-11-22)29(31,32)33/h3,5,7-13,15,18-19H,4,6,14,16-17H2,1-2H3,(H,38,39,40)/t18-,19+
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50160039
PNG
(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2Cl)cc1
Show InChI InChI=1S/C22H21ClN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273087
PNG
(2-(morpholinomethyl)-N-(4-(trifluoromethyl)phenyl)...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(CN3CCOCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F6N5O/c27-25(28,29)17-4-6-18(7-5-17)34-24-19-8-3-16(23-20(26(30,31)32)2-1-9-33-23)14-21(19)35-22(36-24)15-37-10-12-38-13-11-37/h1-9,14H,10-13,15H2,(H,34,35,36)
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n/an/a 2.10n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 2.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 2.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assay


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273167
PNG
((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)
Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 2.5n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50191748
PNG
(CHEMBL214331 | N-(4-tert-butylphenyl)-4-(3-fluorop...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2F)cc1
Show InChI InChI=1S/C22H21FN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-activated human VR1 by FLIPR assay


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


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50273165
PNG
(2-(3-morpholinopropyl)-N-(4-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(CCCN3CCOCC3)nc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C28H25F6N5O/c29-27(30,31)19-6-8-20(9-7-19)36-26-21-10-5-18(25-22(28(32,33)34)3-1-11-35-25)17-23(21)37-24(38-26)4-2-12-39-13-15-40-16-14-39/h1,3,5-11,17H,2,4,12-16H2,(H,36,37,38)
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n/an/a 3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 3.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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n/an/a 3.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 3.25n/an/an/an/a5.0n/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat TRPV1 at pH 5 to 5.5


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50272849
PNG
((4-(4-(trifluoromethyl)phenylamino)-7-(3-(trifluor...)
Show SMILES OCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F
Show InChI InChI=1S/C22H14F6N4O/c23-21(24,25)13-4-6-14(7-5-13)30-20-15-8-3-12(10-17(15)31-18(11-33)32-20)19-16(22(26,27)28)2-1-9-29-19/h1-10,33H,11H2,(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


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


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