new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'gauvin' and Initial = 'dm'   
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (0.009 - 0.015)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor ; value ranges from (0.12 - 0.15)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor ; value ranges from (0.24 -0.32)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
880n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ; value ranges from (0.76 -1.0)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor ;value ranges from (1.3 -1.6)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor; value ranges from (1.5 - 1.9)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor ;value ranges from (1.6 -2.5)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
2.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ; value ranges from (2.0 -4.4)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
6.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor ;value ranges from (6.2 -7.7)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cloned Alpha-1D adrenergic receptor ;value ranges from (5.5 -13)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
9.60E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards hamster cloned Alpha-1B adrenergic receptor mean;value ranges from( 6.4 -14)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PubMed
9.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (6.2 - 15)


J Med Chem 45: 4395-7 (2002)


BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321857
PNG
(8-{4-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(F)cc3)c2C1
Show InChI InChI=1S/C26H20F4N2O2/c27-19-11-6-16(7-12-19)23-24(17-4-9-18(10-5-17)26(28,29)30)34-25(32-23)31-22-3-1-2-15-8-13-20(33)14-21(15)22/h1-7,9-12,20,33H,8,13-14H2,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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))
BDBM50321856
PNG
(4-{2-[7-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yla...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(cc3)C#N)c2C1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)20-11-8-19(9-12-20)25-24(18-6-4-16(15-31)5-7-18)33-26(35-25)32-23-3-1-2-17-10-13-21(34)14-22(17)23/h1-9,11-12,21,34H,10,13-14H2,(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321853
PNG
(8-{4-Ethyl-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES CCc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N2O2/c1-2-18-20(14-6-9-15(10-7-14)22(23,24)25)29-21(26-18)27-19-5-3-4-13-8-11-16(28)12-17(13)19/h3-7,9-10,16,28H,2,8,11-12H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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))
BDBM50321850
PNG
(8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazol-2-...)
Show SMILES Cc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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))
BDBM50321852
PNG
((S)-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-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50321836
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321855
PNG
(8-{4-Bromo-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES OC1CCc2cccc(Nc3nc(Br)c(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H16BrF3N2O2/c21-18-17(12-4-7-13(8-5-12)20(22,23)24)28-19(26-18)25-16-3-1-2-11-6-9-14(27)10-15(11)16/h1-5,7-8,14,27H,6,9-10H2,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50321839
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}n...)
Show SMILES Oc1ccc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-11,26H,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321845
PNG
(8-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tet...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(Cl)cc3)c2C1
Show InChI InChI=1S/C19H17ClN2O2/c20-14-7-4-13(5-8-14)18-11-21-19(24-18)22-17-3-1-2-12-6-9-15(23)10-16(12)17/h1-5,7-8,11,15,23H,6,9-10H2,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50321844
PNG
(8-[5-(4-tert-Butylphenyl)oxazol-2-ylamino]-1,2,3,4...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50270707
PNG
(CHEMBL486495 | [5-(4-tert-Butylphenyl)furan-2-yl]-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem 16: 6379-86 (2008)


Article DOI: 10.1016/j.bmc.2008.05.003
BindingDB Entry DOI: 10.7270/Q2VH5NNT
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
Displayed 1 to 50 (of 159 total )  |  Next  |  Last  >>
Jump to: