Compile Data Set for Download or QSAR

Found 1954 hits with Last Name = 'merit' and Initial = 'je'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20461 ((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+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50052442 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM245007 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245007 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM245074 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM245009 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM244930 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM245076 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM244803 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM244829 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50331116 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM244829 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM244835 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM244835 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM244876 (US9422293, 93B | US9738649, Example 93B) Show SMILES COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C25H26F6N6O/c1-36(14-15-38-2)23-34-20-10-13-37(22-19(25(29,30)31)4-3-11-32-22)12-9-18(20)21(35-23)33-17-7-5-16(6-8-17)24(26,27)28/h3-8,11H,9-10,12-15H2,1-2H3,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	37
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))	BDBM244876 (US9422293, 93B | US9738649, Example 93B) Show SMILES COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C25H26F6N6O/c1-36(14-15-38-2)23-34-20-10-13-37(22-19(25(29,30)31)4-3-11-32-22)12-9-18(20)21(35-23)33-17-7-5-16(6-8-17)24(26,27)28/h3-8,11H,9-10,12-15H2,1-2H3,(H,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50331150 (CHEMBL1290369 | N-(4-tert-butylphenyl)-7-(3-(trifl...) Show SMILES CC(C)(C)c1ccc(Nc2ncnc3CN(CCc23)c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C23H24F3N5/c1-22(2,3)15-6-8-16(9-7-15)30-20-17-10-12-31(13-19(17)28-14-29-20)21-18(23(24,25)26)5-4-11-27-21/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM244829 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	37
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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM244999 (US9422293, 236 | US9738649, Example 236) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F |r| Show InChI InChI=1S/C27H28F6N6O/c1-16-14-39(15-17(2)40-16)25-36-22-10-13-38(24-21(27(31,32)33)4-3-11-34-24)12-9-20(22)23(37-25)35-19-7-5-18(6-8-19)26(28,29)30/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,35,36,37)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
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 (Rattus norvegicus (rat))	BDBM245124 (US9422293, 368 | US9422293, 369 | US9738649, Examp...) Show SMILES CC1OCCC1Sc1nc2CCN(CCc2c(Nc2ccc(cc2C)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C27H27F6N5OS/c1-15-14-17(26(28,29)30)5-6-20(15)35-23-18-7-11-38(24-19(27(31,32)33)4-3-10-34-24)12-8-21(18)36-25(37-23)40-22-9-13-39-16(22)2/h3-6,10,14,16,22H,7-9,11-13H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	37
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 (Rattus norvegicus (rat))	BDBM245124 (US9422293, 368 | US9422293, 369 | US9738649, Examp...) Show SMILES CC1OCCC1Sc1nc2CCN(CCc2c(Nc2ccc(cc2C)C(F)(F)F)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C27H27F6N5OS/c1-15-14-17(26(28,29)30)5-6-20(15)35-23-18-7-11-38(24-19(27(31,32)33)4-3-10-34-24)12-8-21(18)36-25(37-23)40-22-9-13-39-16(22)2/h3-6,10,14,16,22H,7-9,11-13H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245008 (US9422293, 245 | US9738649, Example 245) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCOCC2)cc1Cl Show InChI InChI=1S/C26H25ClF6N6O/c27-20-15-16(4-5-18(20)25(28,29)30)35-22-17-6-10-38(23-19(26(31,32)33)3-1-8-34-23)11-7-21(17)36-24(37-22)39-9-2-13-40-14-12-39/h1,3-5,8,15H,2,6-7,9-14H2,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM244999 (US9422293, 236 | US9738649, Example 236) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F |r| Show InChI InChI=1S/C27H28F6N6O/c1-16-14-39(15-17(2)40-16)25-36-22-10-13-38(24-21(27(31,32)33)4-3-11-34-24)12-9-20(22)23(37-25)35-19-7-5-18(6-8-19)26(28,29)30/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,35,36,37)/t16-,17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 (Rattus norvegicus (rat))	BDBM245007 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245136 (US9422293, 381 | US9738649, Example 381) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1Cl Show InChI InChI=1S/C25H23ClF6N6O/c26-19-14-15(3-4-17(19)24(27,28)29)34-21-16-5-8-37(22-18(25(30,31)32)2-1-7-33-22)9-6-20(16)35-23(36-21)38-10-12-39-13-11-38/h1-4,7,14H,5-6,8-13H2,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245141 (US9422293, 390 | US9738649, Example 390) Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)nc1Cl Show InChI InChI=1S/C25H24ClF6N7/c26-20-16(24(27,28)29)6-7-19(35-20)36-21-15-8-13-38(22-17(25(30,31)32)5-4-10-33-22)14-9-18(15)34-23(37-21)39-11-2-1-3-12-39/h4-7,10H,1-3,8-9,11-14H2,(H,34,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM244809 (US9422293, 14 | US9738649, Example 14) Show SMILES CC(C)c1nc2CCN(CCc2c(NCc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F Show InChI InChI=1S/C24H24Cl2F3N5/c1-14(2)21-32-20-8-11-34(23-17(24(27,28)29)4-3-9-30-23)10-7-16(20)22(33-21)31-13-15-5-6-18(25)19(26)12-15/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245078 (US9422293, 322 | US9738649, Example 322) Show SMILES FC(F)(F)c1cccnc1N1CCc2nc(OC3CCOCC3)nc(Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)c2CC1 Show InChI InChI=1S/C26H25F6N5O4S/c27-25(28,29)20-2-1-11-33-23(20)37-12-7-19-21(8-13-37)35-24(41-17-9-14-40-15-10-17)36-22(19)34-16-3-5-18(6-4-16)42(38,39)26(30,31)32/h1-6,11,17H,7-10,12-15H2,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245063 (US9422293, 307 | US9422293, 330 | US9738649, Examp...) Show SMILES CC1(C)OCC(COc2nc3CCN(CCc3c(Nc3ccc(cc3)C(F)(F)F)n2)c2ncccc2C(F)(F)F)O1 Show InChI InChI=1S/C27H27F6N5O3/c1-25(2)40-15-18(41-25)14-39-24-36-21-10-13-38(23-20(27(31,32)33)4-3-11-34-23)12-9-19(21)22(37-24)35-17-7-5-16(6-8-17)26(28,29)30/h3-8,11,18H,9-10,12-15H2,1-2H3,(H,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245088 (US9422293, 332 | US9738649, Example 332) Show SMILES CC(Oc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F)C1CCCCC1 Show InChI InChI=1S/C29H31F6N5O/c1-18(19-6-3-2-4-7-19)41-27-38-24-14-17-40(26-23(29(33,34)35)8-5-15-36-26)16-13-22(24)25(39-27)37-21-11-9-20(10-12-21)28(30,31)32/h5,8-12,15,18-19H,2-4,6-7,13-14,16-17H2,1H3,(H,37,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245089 (US9422293, 333 | US9738649, Example 333) Show SMILES FC(F)(F)c1cccnc1N1CCc2nc(OC3CCCC3)nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c2CC1 Show InChI InChI=1S/C29H33F3N6O3S/c30-29(31,32)24-8-5-15-33-27(24)37-18-13-23-25(14-19-37)35-28(41-21-6-1-2-7-21)36-26(23)34-20-9-11-22(12-10-20)42(39,40)38-16-3-4-17-38/h5,8-12,15,21H,1-4,6-7,13-14,16-19H2,(H,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM245109 (US9422293, 353 | US9738649, Example 353) Show SMILES FC(F)(F)c1ccc(Nc2nc(SCc3ccccc3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C28H23F6N5S/c29-27(30,31)19-8-10-20(11-9-19)36-24-21-12-15-39(25-22(28(32,33)34)7-4-14-35-25)16-13-23(21)37-26(38-24)40-17-18-5-2-1-3-6-18/h1-11,14H,12-13,15-17H2,(H,36,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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

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