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Compile Data Set for Download or QSAR

Found 2030 hits with Last Name = 'merit' and Initial = 'j'   
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))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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 6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O |r,t:10,35,THB:23:15:26.25.24:12|
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
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 14n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant TRPV1

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402675
PNG
(CHEMBL2207348)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3noc4cnccc34)c2)cc1
Show InChI InChI=1S/C24H22ClN5O3/c25-18-4-6-19(7-5-18)32-20-3-1-2-17(14-20)16-29-10-12-30(13-11-29)24(31)27-23-21-8-9-26-15-22(21)33-28-23/h1-9,14-15H,10-13,16H2,(H,27,28,31)
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n/an/a 0.5n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50402675
PNG
(CHEMBL2207348)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3noc4cnccc34)c2)cc1
Show InChI InChI=1S/C24H22ClN5O3/c25-18-4-6-19(7-5-18)32-20-3-1-2-17(14-20)16-29-10-12-30(13-11-29)24(31)27-23-21-8-9-26-15-22(21)33-28-23/h1-9,14-15H,10-13,16H2,(H,27,28,31)
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n/an/a 0.700n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
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n/an/a 1.40n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50072961
PNG
(CHEMBL3410672)
Show SMILES C[C@H]1COCCN1c1cc(nc(n1)-c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...

J Med Chem 58: 2326-49 (2015)


Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245007
PNG
(US9422293, 244 | US9738649, Example 244)
Show SMILES CC1CCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H26F6N6/c1-16-4-3-13-38(16)24-35-21-11-15-37(23-20(26(30,31)32)5-2-12-33-23)14-10-19(21)22(36-24)34-18-8-6-17(7-9-18)25(27,28)29/h2,5-9,12,16H,3-4,10-11,13-15H2,1H3,(H,34,35,36)
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n/an/a 2n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245007
PNG
(US9422293, 244 | US9738649, Example 244)
Show SMILES CC1CCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C26H26F6N6/c1-16-4-3-13-38(16)24-35-21-11-15-37(23-20(26(30,31)32)5-2-12-33-23)14-10-19(21)22(36-24)34-18-8-6-17(7-9-18)25(27,28)29/h2,5-9,12,16H,3-4,10-11,13-15H2,1H3,(H,34,35,36)
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n/an/a 2n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402695
PNG
(CHEMBL2207356)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccc4nccn34)c2)cc1
Show InChI InChI=1S/C25H24ClN5O2/c26-20-7-9-21(10-8-20)33-22-4-1-3-19(17-22)18-29-13-15-30(16-14-29)25(32)28-24-6-2-5-23-27-11-12-31(23)24/h1-12,17H,13-16,18H2,(H,28,32)
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n/an/a 2.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402692
PNG
(CHEMBL2207358)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3ccnc4nccn34)c2)cc1
Show InChI InChI=1S/C24H23ClN6O2/c25-19-4-6-20(7-5-19)33-21-3-1-2-18(16-21)17-29-12-14-30(15-13-29)24(32)28-22-8-9-26-23-27-10-11-31(22)23/h1-11,16H,12-15,17H2,(H,28,32)
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n/an/a 3n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245074
PNG
(US9422293, 318 | US9738649, Example 318)
Show SMILES CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)c1ncccc1C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C29H31F6N5O3S/c1-18(19-6-3-2-4-7-19)43-27-38-24-14-17-40(26-23(28(30,31)32)8-5-15-36-26)16-13-22(24)25(39-27)37-20-9-11-21(12-10-20)44(41,42)29(33,34)35/h5,8-12,15,18-19H,2-4,6-7,13-14,16-17H2,1H3,(H,37,38,39)
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n/an/a 3n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245118
PNG
(US9422293, 362 | US9738649, Example 362)
Show SMILES CC(O)CSc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H23F6N5O3S2/c1-14(36)13-39-22-33-19-9-12-35(21-18(23(25,26)27)3-2-10-31-21)11-8-17(19)20(34-22)32-15-4-6-16(7-5-15)40(37,38)24(28,29)30/h2-7,10,14,36H,8-9,11-13H2,1H3,(H,32,33,34)
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n/an/a 3n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245009
PNG
(US9422293, 246 | US9422293, 276 | US9422293, 277 |...)
Show SMILES CC1CCCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H28F6N6/c1-17-5-2-3-14-39(17)25-36-22-12-16-38(24-21(27(31,32)33)6-4-13-34-24)15-11-20(22)23(37-25)35-19-9-7-18(8-10-19)26(28,29)30/h4,6-10,13,17H,2-3,5,11-12,14-16H2,1H3,(H,35,36,37)
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n/an/a 3n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245009
PNG
(US9422293, 246 | US9422293, 276 | US9422293, 277 |...)
Show SMILES CC1CCCCN1c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H28F6N6/c1-17-5-2-3-14-39(17)25-36-22-12-16-38(24-21(27(31,32)33)6-4-13-34-24)15-11-20(22)23(37-25)35-19-9-7-18(8-10-19)26(28,29)30/h4,6-10,13,17H,2-3,5,11-12,14-16H2,1H3,(H,35,36,37)
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n/an/a 3n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245118
PNG
(US9422293, 362 | US9738649, Example 362)
Show SMILES CC(O)CSc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H23F6N5O3S2/c1-14(36)13-39-22-33-19-9-12-35(21-18(23(25,26)27)3-2-10-31-21)11-8-17(19)20(34-22)32-15-4-6-16(7-5-15)40(37,38)24(28,29)30/h2-7,10,14,36H,8-9,11-13H2,1H3,(H,32,33,34)
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n/an/a 3n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402679
PNG
(CHEMBL2207344)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cnc4[nH]ccc4c3)c2)cc1
Show InChI InChI=1S/C25H24ClN5O2/c26-20-4-6-22(7-5-20)33-23-3-1-2-18(14-23)17-30-10-12-31(13-11-30)25(32)29-21-15-19-8-9-27-24(19)28-16-21/h1-9,14-16H,10-13,17H2,(H,27,28)(H,29,32)
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n/an/a 3.40n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402694
PNG
(CHEMBL2203328)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cnc4cccnn34)c2)cc1
Show InChI InChI=1S/C24H23ClN6O2/c25-19-6-8-20(9-7-19)33-21-4-1-3-18(15-21)17-29-11-13-30(14-12-29)24(32)28-23-16-26-22-5-2-10-27-31(22)23/h1-10,15-16H,11-14,17H2,(H,28,32)
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n/an/a 3.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 3.70n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 3.70n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244930
PNG
(US9422293, 157 | US9738649, Example 157)
Show SMILES Fc1cc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)ccc1C(F)(F)F
Show InChI InChI=1S/C26H25F7N6/c27-20-15-16(6-7-18(20)25(28,29)30)35-22-17-8-13-38(23-19(26(31,32)33)5-4-10-34-23)14-9-21(17)36-24(37-22)39-11-2-1-3-12-39/h4-7,10,15H,1-3,8-9,11-14H2,(H,35,36,37)
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n/an/a 4n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244931
PNG
(US9422293, 159 | US9738649, Example 159)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)
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n/an/a 4n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM245130
PNG
(US9422293, 374 | US9738649, Example 374)
Show SMILES CC1OCCC1Sc1nc2CCN(CCc2c(Nc2ccc3c(c2)N(C)CCC3(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C31H37F3N6OS/c1-19-26(11-17-41-19)42-29-37-24-10-15-40(28-23(31(32,33)34)6-5-13-35-28)14-9-21(24)27(38-29)36-20-7-8-22-25(18-20)39(4)16-12-30(22,2)3/h5-8,13,18-19,26H,9-12,14-17H2,1-4H3,(H,36,37,38)
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n/an/a 4n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
The assay was performed as described below, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244930
PNG
(US9422293, 157 | US9738649, Example 157)
Show SMILES Fc1cc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)ccc1C(F)(F)F
Show InChI InChI=1S/C26H25F7N6/c27-20-15-16(6-7-18(20)25(28,29)30)35-22-17-8-13-38(23-19(26(31,32)33)5-4-10-34-23)14-9-21(17)36-24(37-22)39-11-2-1-3-12-39/h4-7,10,15H,1-3,8-9,11-14H2,(H,35,36,37)
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n/an/a 4n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244931
PNG
(US9422293, 159 | US9738649, Example 159)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C29H34F3N7O2/c1-28(2,3)21-10-9-19(18-24(21)39(40)41)34-25-20-11-16-37(26-22(29(30,31)32)8-7-13-33-26)17-12-23(20)35-27(36-25)38-14-5-4-6-15-38/h7-10,13,18H,4-6,11-12,14-17H2,1-3H3,(H,34,35,36)
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n/an/a 4n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM245130
PNG
(US9422293, 374 | US9738649, Example 374)
Show SMILES CC1OCCC1Sc1nc2CCN(CCc2c(Nc2ccc3c(c2)N(C)CCC3(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C31H37F3N6OS/c1-19-26(11-17-41-19)42-29-37-24-10-15-40(28-23(31(32,33)34)6-5-13-35-28)14-9-21(24)27(38-29)36-20-7-8-22-25(18-20)39(4)16-12-30(22,2)3/h5-8,13,18-19,26H,9-12,14-17H2,1-4H3,(H,36,37,38)
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n/an/a 4n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
The assay was performed as described above, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245076
PNG
(US9422293, 320 | US9738649, Example 320)
Show SMILES CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n1)c1ncccc1C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C32H39F3N6O3S/c1-22(23-8-3-2-4-9-23)44-31-38-28-16-21-40(30-27(32(33,34)35)10-7-17-36-30)20-15-26(28)29(39-31)37-24-11-13-25(14-12-24)45(42,43)41-18-5-6-19-41/h7,10-14,17,22-23H,2-6,8-9,15-16,18-21H2,1H3,(H,37,38,39)
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n/an/a 5n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM245076
PNG
(US9422293, 320 | US9738649, Example 320)
Show SMILES CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)S(=O)(=O)N2CCCC2)n1)c1ncccc1C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C32H39F3N6O3S/c1-22(23-8-3-2-4-9-23)44-31-38-28-16-21-40(30-27(32(33,34)35)10-7-17-36-30)20-15-26(28)29(39-31)37-24-11-13-25(14-12-24)45(42,43)41-18-5-6-19-41/h7,10-14,17,22-23H,2-6,8-9,15-16,18-21H2,1H3,(H,37,38,39)
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n/an/a 5n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402685
PNG
(CHEMBL2207365)
Show SMILES Clc1conc1NC(=O)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C21H20Cl2N4O3/c22-16-4-6-17(7-5-16)30-18-3-1-2-15(12-18)13-26-8-10-27(11-9-26)21(28)24-20-19(23)14-29-25-20/h1-7,12,14H,8-11,13H2,(H,24,25,28)
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n/an/a 5.20n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 5.30n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 5.30n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331115
PNG
(2-(pyrrolidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCC2)cc1
Show InChI InChI=1S/C25H24F6N6/c26-24(27,28)16-5-7-17(8-6-16)33-21-18-9-14-36(22-19(25(29,30)31)4-3-11-32-22)15-10-20(18)34-23(35-21)37-12-1-2-13-37/h3-8,11H,1-2,9-10,12-15H2,(H,33,34,35)
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n/an/a 5.40n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331115
PNG
(2-(pyrrolidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCC2)cc1
Show InChI InChI=1S/C25H24F6N6/c26-24(27,28)16-5-7-17(8-6-16)33-21-18-9-14-36(22-19(25(29,30)31)4-3-11-32-22)15-10-20(18)34-23(35-21)37-12-1-2-13-37/h3-8,11H,1-2,9-10,12-15H2,(H,33,34,35)
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n/an/a 5.40n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50402695
PNG
(CHEMBL2207356)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccc4nccn34)c2)cc1
Show InChI InChI=1S/C25H24ClN5O2/c26-20-7-9-21(10-8-20)33-22-4-1-3-19(17-22)18-29-13-15-30(16-14-29)25(32)28-24-6-2-5-23-27-11-12-31(23)24/h1-12,17H,13-16,18H2,(H,28,32)
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n/an/a 5.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50072963
PNG
(CHEMBL3410548)
Show SMILES C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(n1)-c1ccc(NC(=O)NCCO)cc1 |r|
Show InChI InChI=1S/C20H27N5O5S/c1-14-12-30-10-8-25(14)18-11-17(13-31(2,28)29)22-19(24-18)15-3-5-16(6-4-15)23-20(27)21-7-9-26/h3-6,11,14,26H,7-10,12-13H2,1-2H3,(H2,21,23,27)/t14-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant truncated FLAG-tagged mTOR (1362 to 2549 aa) (unknown origin) expressed in HEK293 cells using biotinylated p70 peptide as s...

J Med Chem 58: 2326-49 (2015)


Article DOI: 10.1021/jm501778s
BindingDB Entry DOI: 10.7270/Q2DF6SW8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402683
PNG
(CHEMBL2207340)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccc4nsnc34)c2)cc1
Show InChI InChI=1S/C24H22ClN5O2S/c25-18-7-9-19(10-8-18)32-20-4-1-3-17(15-20)16-29-11-13-30(14-12-29)24(31)26-21-5-2-6-22-23(21)28-33-27-22/h1-10,15H,11-14,16H2,(H,26,31)
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n/an/a 5.80n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244803
PNG
(US9422293, 6 | US9738649, Example 6)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C30H30F3N5/c1-29(2,3)21-11-13-22(14-12-21)35-27-23-15-18-38(28-24(30(31,32)33)10-7-17-34-28)19-16-25(23)36-26(37-27)20-8-5-4-6-9-20/h4-14,17H,15-16,18-19H2,1-3H3,(H,35,36,37)
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n/an/a 5.90n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244803
PNG
(US9422293, 6 | US9738649, Example 6)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C30H30F3N5/c1-29(2,3)21-11-13-22(14-12-21)35-27-23-15-18-38(28-24(30(31,32)33)10-7-17-34-28)19-16-25(23)36-26(37-27)20-8-5-4-6-9-20/h4-14,17H,15-16,18-19H2,1-3H3,(H,35,36,37)
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n/an/a 5.90n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244829
PNG
(US9422293, 39 and 39A | US9738649, Example 39A)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C26H26F6N6/c27-25(28,29)17-6-8-18(9-7-17)34-22-19-10-15-37(23-20(26(30,31)32)5-4-12-33-23)16-11-21(19)35-24(36-22)38-13-2-1-3-14-38/h4-9,12H,1-3,10-11,13-16H2,(H,34,35,36)
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n/an/a 6n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ level by FLIPR assay

Bioorg Med Chem Lett 20: 7142-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.006
BindingDB Entry DOI: 10.7270/Q26Q1XH0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50394629
PNG
(CHEMBL2164596 | US9169224, 60)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3ccccc3)c2)cc1
Show InChI InChI=1S/C24H24ClN3O2/c25-20-9-11-22(12-10-20)30-23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29)
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n/an/a 6n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244829
PNG
(US9422293, 39 and 39A | US9738649, Example 39A)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show InChI InChI=1S/C26H26F6N6/c27-25(28,29)17-6-8-18(9-7-17)34-22-19-10-15-37(23-20(26(30,31)32)5-4-12-33-23)16-11-21(19)35-24(36-22)38-13-2-1-3-14-38/h4-9,12H,1-3,10-11,13-16H2,(H,34,35,36)
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n/an/a 6n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50331116
PNG
(2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(t...)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C25H24F6N6O/c26-24(27,28)16-3-5-17(6-4-16)33-21-18-7-10-36(22-19(25(29,30)31)2-1-9-32-22)11-8-20(18)34-23(35-21)37-12-14-38-15-13-37/h1-6,9H,7-8,10-15H2,(H,33,34,35)
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 assessed as inhibition of capsaicin-induced in intracellular calcium levels by cell-based FLIPR assay

Bioorg Med Chem Lett 20: 7137-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.023
BindingDB Entry DOI: 10.7270/Q29W0FQ5
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402680
PNG
(CHEMBL2207343)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cncc4ccccc34)c2)cc1
Show InChI InChI=1S/C27H25ClN4O2/c28-22-8-10-23(11-9-22)34-24-6-3-4-20(16-24)19-31-12-14-32(15-13-31)27(33)30-26-18-29-17-21-5-1-2-7-25(21)26/h1-11,16-18H,12-15,19H2,(H,30,33)
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n/an/a 6.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244835
PNG
(US9422293, 47 | US9738649, Example 47)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,3)19-6-8-20(9-7-19)33-24-21-10-13-36(25-22(28(29,30)31)5-4-12-32-25)14-11-23(21)34-26(35-24)37-15-17-38-18-16-37/h4-9,12H,10-11,13-18H2,1-3H3,(H,33,34,35)
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n/an/a 6.80n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9738649 (2017)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM244835
PNG
(US9422293, 47 | US9738649, Example 47)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,3)19-6-8-20(9-7-19)33-24-21-10-13-36(25-22(28(29,30)31)5-4-12-32-25)14-11-23(21)34-26(35-24)37-15-17-38-18-16-37/h4-9,12H,10-11,13-18H2,1-3H3,(H,33,34,35)
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n/an/a 6.80n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...

US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402689
PNG
(CHEMBL2207361)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnn3)c2)cc1
Show InChI InChI=1S/C22H22ClN5O2/c23-18-6-8-19(9-7-18)30-20-4-1-3-17(15-20)16-27-11-13-28(14-12-27)22(29)25-21-5-2-10-24-26-21/h1-10,15H,11-14,16H2,(H,25,26,29)
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n/an/a 7.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402681
PNG
(CHEMBL2207342)
Show SMILES Cc1nc2cc(NC(=O)N3CCN(Cc4cccc(Oc5ccc(Cl)cc5)c4)CC3)ccc2o1
Show InChI InChI=1S/C26H25ClN4O3/c1-18-28-24-16-21(7-10-25(24)33-18)29-26(32)31-13-11-30(12-14-31)17-19-3-2-4-23(15-19)34-22-8-5-20(27)6-9-22/h2-10,15-16H,11-14,17H2,1H3,(H,29,32)
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n/an/a 7.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50402677
PNG
(CHEMBL2207346)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3noc4ccccc34)c2)cc1
Show InChI InChI=1S/C25H23ClN4O3/c26-19-8-10-20(11-9-19)32-21-5-3-4-18(16-21)17-29-12-14-30(15-13-29)25(31)27-24-22-6-1-2-7-23(22)33-28-24/h1-11,16H,12-15,17H2,(H,27,28,31)
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n/an/a 8.10n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50402680
PNG
(CHEMBL2207343)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cncc4ccccc34)c2)cc1
Show InChI InChI=1S/C27H25ClN4O2/c28-22-8-10-23(11-9-22)34-24-6-3-4-20(16-24)19-31-12-14-32(15-13-31)27(33)30-26-18-29-17-21-5-1-2-7-25(21)26/h1-11,16-18H,12-15,19H2,(H,30,33)
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n/an/a 8.30n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM50402690
PNG
(CHEMBL2207360)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cnccn3)c2)cc1
Show InChI InChI=1S/C22H22ClN5O2/c23-18-4-6-19(7-5-18)30-20-3-1-2-17(14-20)16-27-10-12-28(13-11-27)22(29)26-21-15-24-8-9-25-21/h1-9,14-15H,10-13,16H2,(H,25,26,29)
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n/an/a 8.70n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins

Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
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