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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'lubin' and Initial = 'ml'   
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))		BDBM50086717
PNG
(JNJ-39439335 | Mavatrep)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
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 6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-RTX from human TRPV1 transfected in HEK293 cells after 60 mins by scintillation spectroscopic analysis

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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 300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by ThermoFluor method

J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335165
PNG
(3-[2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-6-(2-tr...)
Show SMILES OCCCc1cc(cc2[nH]c(nc12)C1=NOC2(C1)CCCCC2)-c1ccccc1C(F)(F)F |t:15|
Show InChI InChI=1S/C25H26F3N3O2/c26-25(27,28)19-9-3-2-8-18(19)17-13-16(7-6-12-32)22-20(14-17)29-23(30-22)21-15-24(33-31-21)10-4-1-5-11-24/h2-3,8-9,13-14,32H,1,4-7,10-12,15H2,(H,29,30)
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n/an/a 0.200n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))		BDBM50335157
PNG
(3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|
Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
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n/an/a 0.413n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TRPM8 expressed in HEK293 cells assessed as inhibition of cold-induced channel current by whole cell electrophysiology

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335170
PNG
(3-[5-(2-Fluoro-6-trifluoromethylphenyl)-1H-benzimi...)
Show SMILES Fc1cccc(c1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:19|
Show InChI InChI=1S/C22H19F4N3O/c23-15-6-4-5-14(22(24,25)26)19(15)13-7-8-16-17(11-13)28-20(27-16)18-12-21(30-29-18)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,27,28)
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n/an/a 0.600n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335160
PNG
(2-(1-Oxa-2-aza-spiro[4.5]dec-2-en-3-yl)-6-(2-trifl...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(C#N)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:24|
Show InChI InChI=1S/C23H19F3N4O/c24-23(25,26)17-7-3-2-6-16(17)14-10-15(13-27)20-18(11-14)28-21(29-20)19-12-22(31-30-19)8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,28,29)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335171
PNG
(3-[5-(2-Fluoro-6-trifluoromethoxyphenyl)-1H-benzim...)
Show SMILES Fc1cccc(OC(F)(F)F)c1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:24|
Show InChI InChI=1S/C22H19F4N3O2/c23-14-5-4-6-18(30-22(24,25)26)19(14)13-7-8-15-16(11-13)28-20(27-15)17-12-21(31-29-17)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,27,28)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335157
PNG
(3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|
Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335173
PNG
(8,8-Difluoro-3-[5-(2-trifluoromethylphenyl)-1H-ben...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCC(F)(F)CC2 |t:22|
Show InChI InChI=1S/C22H18F5N3O/c23-21(24)9-7-20(8-10-21)12-18(30-31-20)19-28-16-6-5-13(11-17(16)29-19)14-3-1-2-4-15(14)22(25,26)27/h1-6,11H,7-10,12H2,(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465794
PNG
(CHEMBL4288564)
Show SMILES CCN(CC)c1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C28H36ClN3O/c1-7-31(8-2)24-11-9-10-12-25(24)32-26(20-13-15-22(29)16-14-20)17-23(30-32)21-18-27(3,4)33-28(5,6)19-21/h9-17,21H,7-8,18-19H2,1-6H3
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465792
PNG
(CHEMBL4279774)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465788
PNG
(CHEMBL4292697)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(cc1)C#N)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C26H29N3O2/c1-25(2)15-20(16-26(3,4)31-25)21-14-23(19-12-10-18(17-27)11-13-19)29(28-21)22-8-6-7-9-24(22)30-5/h6-14,20H,15-16H2,1-5H3
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335164
PNG
(3-[5-(2-Chlorophenyl)-7-trifluoromethyl-1H-benzimi...)
Show SMILES FC(F)(F)c1cc(cc2nc([nH]c12)C1=NOC2(C1)CCCCC2)-c1ccccc1Cl |t:15|
Show InChI InChI=1S/C22H19ClF3N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335154
PNG
(3-[5-(2-Trifluoromethoxyphenyl)-1H-benzimidazol-2-...)
Show SMILES FC(F)(F)Oc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:23|
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)29-19-7-3-2-6-15(19)14-8-9-16-17(12-14)27-20(26-16)18-13-21(30-28-18)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335163
PNG
(3-[5-(2-Trifluoromethoxyphenyl)-7-trifluoromethyl-...)
Show SMILES FC(F)(F)Oc1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:23|
Show InChI InChI=1S/C23H19F6N3O2/c24-22(25,26)15-10-13(14-6-2-3-7-18(14)33-23(27,28)29)11-16-19(15)31-20(30-16)17-12-21(34-32-17)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335174
PNG
(3-[7-Trifluoromethyl-5-(2-trifluoromethylphenyl)-1...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCOCC2)C(F)(F)F |t:22|
Show InChI InChI=1S/C22H17F6N3O2/c23-21(24,25)14-4-2-1-3-13(14)12-9-15(22(26,27)28)18-16(10-12)29-19(30-18)17-11-20(33-31-17)5-7-32-8-6-20/h1-4,9-10H,5-8,11H2,(H,29,30)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335162
PNG
(3-[5-(2-Fluorophenyl)-7-trifluoromethyl-1H-benzimi...)
Show SMILES Fc1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:19|
Show InChI InChI=1S/C22H19F4N3O/c23-16-7-3-2-6-14(16)13-10-15(22(24,25)26)19-17(11-13)27-20(28-19)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
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n/an/a 1.70n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465791
PNG
(CHEMBL4289288)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1C[C@H](C)O[C@@H](C)C1 |r|
Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16-/m0/s1
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465796
PNG
(CHEMBL4290426)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CCOC(C)(C)C1
Show InChI InChI=1S/C23H25ClN2O2/c1-23(2)15-17(12-13-28-23)19-14-21(16-8-10-18(24)11-9-16)26(25-19)20-6-4-5-7-22(20)27-3/h4-11,14,17H,12-13,15H2,1-3H3
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465800
PNG
(CHEMBL4282095)
Show SMILES CCOc1ccc(cc1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C27H34N2O3/c1-7-31-21-14-12-19(13-15-21)24-16-22(20-17-26(2,3)32-27(4,5)18-20)28-29(24)23-10-8-9-11-25(23)30-6/h8-16,20H,7,17-18H2,1-6H3
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086728
PNG
(CHEMBL3426347)
Show SMILES CC(C)(C)c1ccc(\C=C\c2nc3cc(ccc3[nH]2)-c2ccccc2NS(C)(=O)=O)cc1
Show InChI InChI=1S/C26H27N3O2S/c1-26(2,3)20-13-9-18(10-14-20)11-16-25-27-23-15-12-19(17-24(23)28-25)21-7-5-6-8-22(21)29-32(4,30)31/h5-17,29H,1-4H3,(H,27,28)/b16-11+
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335158
PNG
(3-[7-Fluoro-5-(2-trifluoromethylphenyl)-1H-benzimi...)
Show SMILES Fc1cc(cc2[nH]c(nc12)C1=NOC2(C1)CCCCC2)-c1ccccc1C(F)(F)F |t:12|
Show InChI InChI=1S/C22H19F4N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335169
PNG
(3-[5-(2,6-Difluorophenyl)-1H-benzimidazol-2-yl]-1-...)
Show SMILES Fc1cccc(F)c1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:20|
Show InChI InChI=1S/C21H19F2N3O/c22-14-5-4-6-15(23)19(14)13-7-8-16-17(11-13)25-20(24-16)18-12-21(27-26-18)9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,24,25)
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n/an/a 2.30n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335151
PNG
(3-[5-(2-Chlorophenyl)-1H-benzimidazol-2-yl]-1-oxa-...)
Show SMILES Clc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:19|
Show InChI InChI=1S/C21H20ClN3O/c22-16-7-3-2-6-15(16)14-8-9-17-18(12-14)24-20(23-17)19-13-21(26-25-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,24)
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n/an/a 2.40n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335153
PNG
(3-[5-(2-Difluoromethoxyphenyl)-1H-benzimidazol-2-y...)
Show SMILES FC(F)Oc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:22|
Show InChI InChI=1S/C22H21F2N3O2/c23-21(24)28-19-7-3-2-6-15(19)14-8-9-16-17(12-14)26-20(25-16)18-13-22(29-27-18)10-4-1-5-11-22/h2-3,6-9,12,21H,1,4-5,10-11,13H2,(H,25,26)
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n/an/a 2.5n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335161
PNG
(3-[7-Bromo-5-(2-trifluoromethylphenyl)-1H-benzimid...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(Br)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23|
Show InChI InChI=1S/C22H19BrF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
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n/an/a 2.70n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086744
PNG
(CHEMBL3426376)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(CCc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C25H23F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-8,10-13,15,31H,9,14H2,1-2H3,(H,29,30)
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086740
PNG
(CHEMBL3426378)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(nc2c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H20N2O/c1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-11,13-14,16,27H,1-2H3,(H,25,26)
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335155
PNG
(3-[5-(2-Fluorophenyl)-1H-benzimidazol-2-yl]-1-oxa-...)
Show SMILES Fc1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:19|
Show InChI InChI=1S/C21H20FN3O/c22-16-7-3-2-6-15(16)14-8-9-17-18(12-14)24-20(23-17)19-13-21(26-25-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,23,24)
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n/an/a 2.90n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))		BDBM50335157
PNG
(3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|
Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
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Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation at 0.2 uM by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465798
PNG
(CHEMBL4278633)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)[C@@H]1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C23H25ClN2O2/c1-15-12-18(13-16(2)28-15)20-14-22(17-8-10-19(24)11-9-17)26(25-20)21-6-4-5-7-23(21)27-3/h4-11,14-16,18H,12-13H2,1-3H3/t15-,16+,18+
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465789
PNG
(CHEMBL4293756)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1=CC(C)(C)OC(C)(C)C1 |t:23|
Show InChI InChI=1S/C25H27ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-15H,16H2,1-5H3
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Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50431484
PNG
(CHEMBL2348660)
Show SMILES Fc1ccccc1NC(C(=O)N1CCC[C@H]1c1ccccc1F)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C26H22F2N2OS/c27-19-10-3-2-9-18(19)22-13-7-15-30(22)26(31)25(29-21-12-5-4-11-20(21)28)24-16-17-8-1-6-14-23(17)32-24/h1-6,8-12,14,16,22,25,29H,7,13,15H2/t22-,25?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium influx incubated for 5 mins prior to icil...

Bioorg Med Chem Lett 23: 2234-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.062
BindingDB Entry DOI: 10.7270/Q2959JWT
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335156
PNG
(3-[5-(2-Trifluoromethyl-phenyl)-1H-benzimidazol-2-...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NOC2(C1)CCCCC2 |t:22|
Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-20(26-17)19-13-21(29-28-19)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335159
PNG
(3-[7-Chloro-5-(2-trifluoromethylphenyl)-1H-benzimi...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(Cl)c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2 |t:23|
Show InChI InChI=1S/C22H19ClF3N3O/c23-16-10-13(14-6-2-3-7-15(14)22(24,25)26)11-17-19(16)28-20(27-17)18-12-21(30-29-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335175
PNG
(3-[7-Chloro-5-(2-trifluoromethyl-phenyl)-1H-benzim...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(Cl)c2[nH]c(nc2c1)C1=NOC2(C1)CCOCC2 |t:23|
Show InChI InChI=1S/C21H17ClF3N3O2/c22-15-9-12(13-3-1-2-4-14(13)21(23,24)25)10-16-18(15)27-19(26-16)17-11-20(30-28-17)5-7-29-8-6-20/h1-4,9-10H,5-8,11H2,(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50335157
PNG
(3-[7-Trifluoromethyl-5-(2-trifluoromethyl-phenyl)-...)
Show SMILES FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|
Show InChI InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
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n/an/a 4n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation at 0.2 uM by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086739
PNG
(CHEMBL3426379)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(nc2c1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-8,10-13,15,31H,1-2H3,(H,29,30)
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086717
PNG
(JNJ-39439335 | Mavatrep)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086716
PNG
(CHEMBL3426361)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3cccc(c3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C25H21F3N2O/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b13-10+
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n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465786
PNG
(CHEMBL4283590)
Show SMILES CCOc1ccc(cn1)-c1cc(nn1-c1ccccc1OC)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C26H33N3O3/c1-7-31-24-13-12-18(17-27-24)22-14-20(19-15-25(2,3)32-26(4,5)16-19)28-29(22)21-10-8-9-11-23(21)30-6/h8-14,17,19H,7,15-16H2,1-6H3
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n/an/a 5n/an/an/an/an/an/a



Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50431489
PNG
(CHEMBL2348666)
Show SMILES Fc1ccccc1NC(C(=O)N1CCC[C@H]1c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F4N2O/c26-20-9-4-5-10-21(20)30-23(18-12-14-19(15-13-18)25(27,28)29)24(32)31-16-6-11-22(31)17-7-2-1-3-8-17/h1-5,7-10,12-15,22-23,30H,6,11,16H2/t22-,23?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium influx incubated for 5 mins prior to icil...

Bioorg Med Chem Lett 23: 2234-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.062
BindingDB Entry DOI: 10.7270/Q2959JWT
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50431488
PNG
(CHEMBL2348665)
Show SMILES Fc1ccccc1NC(C(=O)N1CCC[C@@H]1c1ccccc1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F4N2O/c26-20-9-4-5-10-21(20)30-23(18-12-14-19(15-13-18)25(27,28)29)24(32)31-16-6-11-22(31)17-7-2-1-3-8-17/h1-5,7-10,12-15,22-23,30H,6,11,16H2/t22-,23?/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium influx incubated for 5 mins prior to icil...

Bioorg Med Chem Lett 23: 2234-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.062
BindingDB Entry DOI: 10.7270/Q2959JWT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086713
PNG
(CHEMBL3426364)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(Cl)cc3)nc2c1
Show InChI InChI=1S/C24H21ClN2O/c1-24(2,28)20-6-4-3-5-19(20)17-10-13-21-22(15-17)27-23(26-21)14-9-16-7-11-18(25)12-8-16/h3-15,28H,1-2H3,(H,26,27)/b14-9+
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086714
PNG
(CHEMBL3426363)
Show SMILES CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C25H21F3N2O2/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)32-25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465802
PNG
(CHEMBL4294178)
Show SMILES COc1ccccc1-n1nc(cc1-c1ccc(C)nc1)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C25H31N3O2/c1-17-11-12-18(16-26-17)22-13-20(19-14-24(2,3)30-25(4,5)15-19)27-28(22)21-9-7-8-10-23(21)29-6/h7-13,16,19H,14-15H2,1-6H3
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n/an/a 6n/an/an/an/an/an/a



Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50335166
PNG
(2-(5-(2-(Trifluoromethyl)phenyl)-1H-benzo[d]imidaz...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2nc([nH]c2c1)C1=NC2(CO1)CCCCC2 |t:22|
Show InChI InChI=1S/C22H20F3N3O/c23-22(24,25)16-7-3-2-6-15(16)14-8-9-17-18(12-14)27-19(26-17)20-28-21(13-29-20)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,26,27)
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n/an/a 6n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibition of intracellular calcium accumulation by FLIPR assay

J Med Chem 54: 233-47 (2011)


Article DOI: 10.1021/jm101075v
BindingDB Entry DOI: 10.7270/Q20C4WRJ
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50465793
PNG
(CHEMBL4277584)
Show SMILES COc1ccccc1-n1nc(cc1-c1csc(Cl)c1)C1CC(C)(C)OC(C)(C)C1
Show InChI InChI=1S/C23H27ClN2O2S/c1-22(2)12-16(13-23(3,4)28-22)17-11-19(15-10-21(24)29-14-15)26(25-17)18-8-6-7-9-20(18)27-5/h6-11,14,16H,12-13H2,1-5H3
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n/an/a 6n/an/an/an/an/an/a



Janssen Research & Development, L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of Cav2.2 (unknown origin) expressed in HEK293 cells assessed as decrease in KCl depolarization-induced Ca2+ influx measured for 5 mins by...

Bioorg Med Chem Lett 28: 3780-3783 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.007
BindingDB Entry DOI: 10.7270/Q2571FP9
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein


(Canis lupus familiaris (Dog))		BDBM50431473
PNG
(CHEMBL2348325)
Show SMILES Fc1ccccc1N[C@H](C(=O)N1CCC[C@H]1c1ccccc1F)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H21F5N2O/c26-19-7-2-1-6-18(19)22-10-5-15-32(22)24(33)23(31-21-9-4-3-8-20(21)27)16-11-13-17(14-12-16)25(28,29)30/h1-4,6-9,11-14,22-23,31H,5,10,15H2/t22-,23-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Janssen Research& Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium influx incubated for 5 mins prior to icil...

Bioorg Med Chem Lett 23: 2234-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.062
BindingDB Entry DOI: 10.7270/Q2959JWT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50086742
PNG
(CHEMBL3426377)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(CCc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C22H18F3N3O2S/c23-22(24,25)16-9-5-14(6-10-16)7-12-21-27-18-11-8-15(13-19(18)28-21)17-3-1-2-4-20(17)31(26,29)30/h1-6,8-11,13H,7,12H2,(H,27,28)(H2,26,29,30)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced Ca2+ influx preincubated for 5 m...

J Med Chem 58: 3859-74 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00132
BindingDB Entry DOI: 10.7270/Q2154JS3
More data for this
Ligand-Target Pair
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