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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'mcbryde' and Initial = 'a'   
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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254456
PNG
(CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)
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11n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254457
PNG
(CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...)
Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl
Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)
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21n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254458
PNG
(CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)
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34n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254456
PNG
(CHEMBL447392 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C33H43ClN4O5S/c1-25(2)24-43-31-14-11-27(19-32(31)42-4)22-38(23-33(39)35-20-28-7-5-6-8-30(28)34)44(40,41)29-12-9-26(10-13-29)21-37-17-15-36(3)16-18-37/h5-14,19,25H,15-18,20-24H2,1-4H3,(H,35,39)
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37n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254459
PNG
(CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)
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93n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254460
PNG
(CHEMBL499999 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1
Show InChI InChI=1S/C32H41ClN4O4S/c1-25(2)24-41-29-12-8-27(9-13-29)22-37(23-32(38)34-20-28-6-4-5-7-31(28)33)42(39,40)30-14-10-26(11-15-30)21-36-18-16-35(3)17-19-36/h4-15,25H,16-24H2,1-3H3,(H,34,38)
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113n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254461
PNG
(CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)
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149n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254457
PNG
(CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...)
Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl
Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)
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188n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254462
PNG
(CHEMBL468492 | N-(2-methoxyphenethyl)-2-(N-(2-(ben...)
Show SMILES COc1ccccc1CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H26Cl2N2O7S/c1-34-22-5-3-2-4-18(22)10-11-29-26(31)16-30(38(32,33)25-9-6-19(27)14-21(25)28)12-13-35-20-7-8-23-24(15-20)37-17-36-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,31)
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210n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254458
PNG
(CHEMBL452238 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCCCC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C33H42ClN3O5S/c1-25(2)24-42-31-16-13-27(19-32(31)41-3)22-37(23-33(38)35-20-28-9-5-6-10-30(28)34)43(39,40)29-14-11-26(12-15-29)21-36-17-7-4-8-18-36/h5-6,9-16,19,25H,4,7-8,17-18,20-24H2,1-3H3,(H,35,38)
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267n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254463
PNG
(3-(2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yl...)
Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H24Cl2N2O6S/c23-17-5-7-20(19(24)13-17)33(30,31)26(14-21(27)25-9-8-22(28)29)10-11-32-18-6-4-15-2-1-3-16(15)12-18/h4-7,12-13H,1-3,8-11,14H2,(H,25,27)(H,28,29)
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410n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254461
PNG
(CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)
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463n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254459
PNG
(CHEMBL512111 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN(C)C)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C30H38ClN3O5S/c1-22(2)21-39-28-15-12-24(16-29(28)38-5)19-34(20-30(35)32-17-25-8-6-7-9-27(25)31)40(36,37)26-13-10-23(11-14-26)18-33(3)4/h6-16,22H,17-21H2,1-5H3,(H,32,35)
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497n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254508
PNG
(3-(2-(2,4-dichloro-N-(2-(3-chlorophenoxy)ethyl)phe...)
Show SMILES OC(=O)CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl3N2O6S/c20-13-2-1-3-15(10-13)30-9-8-24(12-18(25)23-7-6-19(26)27)31(28,29)17-5-4-14(21)11-16(17)22/h1-5,10-11H,6-9,12H2,(H,23,25)(H,26,27)
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1.09E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254632
PNG
(2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...)
Show SMILES COCCCNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N2O5S/c1-31-12-3-10-26-23(28)16-27(33(29,30)22-9-7-19(24)15-21(22)25)11-13-32-20-8-6-17-4-2-5-18(17)14-20/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,26,28)
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1.21E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254633
PNG
(3-(2-(N-(2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)-2,4...)
Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccc2OCOc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl2N2O8S/c21-13-1-4-18(15(22)9-13)33(28,29)24(11-19(25)23-6-5-20(26)27)7-8-30-14-2-3-16-17(10-14)32-12-31-16/h1-4,9-10H,5-8,11-12H2,(H,23,25)(H,26,27)
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1.57E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254634
PNG
(2-(2,4-dichloro-N-(2-(2,3-dihydro-1H-inden-5-yloxy...)
Show SMILES CNC(=O)CN(CCOc1ccc2CCCc2c1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N2O4S/c1-23-20(25)13-24(29(26,27)19-8-6-16(21)12-18(19)22)9-10-28-17-7-5-14-3-2-4-15(14)11-17/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)
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2.20E+3n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254635
PNG
(3-(2-(2,4-dichloro-N-(2-phenoxyethyl)phenylsulfona...)
Show SMILES OC(=O)CCNC(=O)CN(CCOc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N2O6S/c20-14-6-7-17(16(21)12-14)30(27,28)23(13-18(24)22-9-8-19(25)26)10-11-29-15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,22,24)(H,25,26)
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1.30E+4n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180699
PNG
(6(4-chloro-3-ethoxy-phenyl)-7-isopropyl-2-methyl-3...)
Show SMILES CCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C20H21ClN2O2/c1-5-25-19-8-13(6-7-17(19)21)15-9-16-18(10-14(15)11(2)3)22-12(4)23-20(16)24/h6-11H,5H2,1-4H3,(H,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180715
PNG
(6-(4-chloro-phenyl)-7-isopropyl-2-methyl-3H-quinaz...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN2O/c1-10(2)14-9-17-16(18(22)21-11(3)20-17)8-15(14)12-4-6-13(19)7-5-12/h4-10H,1-3H3,(H,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180717
PNG
(6(4-chloro-3-methoxy-phenyl)-7-isopropyl-2-methyl-...)
Show SMILES COc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C19H19ClN2O2/c1-10(2)13-9-17-15(19(23)22-11(3)21-17)8-14(13)12-5-6-16(20)18(7-12)24-4/h5-10H,1-4H3,(H,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180711
PNG
(7-tert-butyl-6-(4-chloro-phenyl)-2-thioxo-2,3-dihy...)
Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3OS/c1-17(2,3)13-11(9-4-6-10(18)7-5-9)8-12-14(19-13)20-16(23)21-15(12)22/h4-8H,1-3H3,(H2,19,20,21,22,23)
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n/an/a 18n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of low pH activation of human TRPV1


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180706
PNG
(6-(4-chloro-3fluoro-phenyl)-7-isopropyl-2-methyl-3...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C18H16ClFN2O/c1-9(2)12-8-17-14(18(23)22-10(3)21-17)7-13(12)11-4-5-15(19)16(20)6-11/h4-9H,1-3H3,(H,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50180708
PNG
(7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...)
Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of low pH activation of rat TRPV1


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180698
PNG
(6-1,3-benzdioxolo-5-yl-7-isopropyl-2-methyl-3H-qui...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H18N2O3/c1-10(2)13-8-16-15(19(22)21-11(3)20-16)7-14(13)12-4-5-17-18(6-12)24-9-23-17/h4-8,10H,9H2,1-3H3,(H,20,21,22)
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n/an/a 31n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180719
PNG
(6-(2,4-dichloro-5-ethoxy-phenyl)-7-isopropyl-2-met...)
Show SMILES CCOc1cc(c(Cl)cc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C20H20Cl2N2O2/c1-5-26-19-8-14(16(21)9-17(19)22)13-6-15-18(7-12(13)10(2)3)23-11(4)24-20(15)25/h6-10H,5H2,1-4H3,(H,23,24,25)
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n/an/a 37n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180701
PNG
(6(4-chloro-3-propoxy-phenyl)-7-isopropyl-2-methyl-...)
Show SMILES CCCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C21H23ClN2O2/c1-5-8-26-20-9-14(6-7-18(20)22)16-10-17-19(11-15(16)12(2)3)23-13(4)24-21(17)25/h6-7,9-12H,5,8H2,1-4H3,(H,23,24,25)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180703
PNG
(6(3-chloro-4-methyl-phenyl)-7-isopropyl-2-methyl-3...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H19ClN2O/c1-10(2)14-9-18-16(19(23)22-12(4)21-18)8-15(14)13-6-5-11(3)17(20)7-13/h5-10H,1-4H3,(H,21,22,23)
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n/an/a 42n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180708
PNG
(7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...)
Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)
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n/an/a 49n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of low pH activation of human TRPV1


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50212312
PNG
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180710
PNG
(6(3-butoxy-4-chloro-phenyl)-7-isopropyl-2-methyl-3...)
Show SMILES CCCCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C22H25ClN2O2/c1-5-6-9-27-21-10-15(7-8-19(21)23)17-11-18-20(12-16(17)13(2)3)24-14(4)25-22(18)26/h7-8,10-13H,5-6,9H2,1-4H3,(H,24,25,26)
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n/an/a 82n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50180708
PNG
(7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...)
Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in rat TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180718
PNG
(6-(3-chloro-5-methoxy-phenyl)-7-isopropyl-2-methyl...)
Show SMILES COc1cc(Cl)cc(c1)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C19H19ClN2O2/c1-10(2)15-9-18-17(19(23)22-11(3)21-18)8-16(15)12-5-13(20)7-14(6-12)24-4/h5-10H,1-4H3,(H,21,22,23)
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n/an/a 100n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180708
PNG
(7-tert-butyl-6-phenyl-2-thioxo-2,3-dihydro-1H-pyri...)
Show SMILES CC(C)(C)c1nc2[nH]c(=S)[nH]c(=O)c2cc1-c1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-17(2,3)13-11(10-7-5-4-6-8-10)9-12-14(18-13)19-16(22)20-15(12)21/h4-9H,1-3H3,(H2,18,19,20,21,22)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50212312
PNG
(6(4-chloro-3-cyclopropylmethoxy-phenyl)-7-isopropy...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CC2)c1
Show InChI InChI=1S/C22H23ClN2O2/c1-12(2)16-10-20-18(22(26)25-13(3)24-20)9-17(16)15-6-7-19(23)21(8-15)27-11-14-4-5-14/h6-10,12,14H,4-5,11H2,1-3H3,(H,24,25,26)
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n/an/a 105n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of low pH activation of rat TRPV1


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180702
PNG
(2-amino-6-(4-chloro-phenyl)-7-isopropyl-3H-quinazo...)
Show SMILES CC(C)c1cc2nc(N)[nH]c(=O)c2cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O/c1-9(2)12-8-15-14(16(22)21-17(19)20-15)7-13(12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H3,19,20,21,22)
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n/an/a 133n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180704
PNG
(6(4-chloro-3-cyclobutylmethoxy-phenyl)-7-isopropyl...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC2CCC2)c1
Show InChI InChI=1S/C23H25ClN2O2/c1-13(2)17-11-21-19(23(27)26-14(3)25-21)10-18(17)16-7-8-20(24)22(9-16)28-12-15-5-4-6-15/h7-11,13,15H,4-6,12H2,1-3H3,(H,25,26,27)
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n/an/a 144n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180712
PNG
(6-(4-chloro-3-isopropoxy-phenyl)-7-isopropyl-2-met...)
Show SMILES CC(C)Oc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C21H23ClN2O2/c1-11(2)15-10-19-17(21(25)24-13(5)23-19)9-16(15)14-6-7-18(22)20(8-14)26-12(3)4/h6-12H,1-5H3,(H,23,24,25)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180713
PNG
(6-[4-chloro3-(2-methoxy-ethoxy)-phenyl]-7-isopropy...)
Show SMILES COCCOc1cc(ccc1Cl)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C21H23ClN2O3/c1-12(2)15-11-19-17(21(25)24-13(3)23-19)10-16(15)14-5-6-18(22)20(9-14)27-8-7-26-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,24,25)
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n/an/a 216n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180714
PNG
(6(3-ethoxy-4-methoxy-phenyl)-7-isopropyl-2-methyl-...)
Show SMILES CCOc1cc(ccc1OC)-c1cc2c(cc1C(C)C)nc(C)[nH]c2=O
Show InChI InChI=1S/C21H24N2O3/c1-6-26-20-9-14(7-8-19(20)25-5)16-10-17-18(11-15(16)12(2)3)22-13(4)23-21(17)24/h7-12H,6H2,1-5H3,(H,22,23,24)
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n/an/a 286n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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n/an/a 334n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180696
PNG
(6-[4-chloro-3-(2-dimethylamino-ethoxy)-phenyl]-7-i...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1cccc(OCCN(C)C)c1
Show InChI InChI=1S/C22H27N3O2/c1-14(2)18-13-21-20(22(26)24-15(3)23-21)12-19(18)16-7-6-8-17(11-16)27-10-9-25(4)5/h6-8,11-14H,9-10H2,1-5H3,(H,23,24,26)
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n/an/a 487n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180697
PNG
(6-[4-chloro-3-(2-hydroxy-ethoxy)-phenyl]-7-isoprop...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCCO)c1
Show InChI InChI=1S/C20H21ClN2O3/c1-11(2)14-10-18-16(20(25)23-12(3)22-18)9-15(14)13-4-5-17(21)19(8-13)26-7-6-24/h4-5,8-11,24H,6-7H2,1-3H3,(H,22,23,25)
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n/an/a 557n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180716
PNG
(6-(4-chloro-phenyl)-2-ethyl-7-isopropyl-3H-quinazo...)
Show SMILES CCc1nc2cc(C(C)C)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN2O/c1-4-18-21-17-10-14(11(2)3)15(9-16(17)19(23)22-18)12-5-7-13(20)8-6-12/h5-11H,4H2,1-3H3,(H,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180709
PNG
(CHEMBL201141 | [2-chloro-5-(7-isopropyl-2-methyl-4...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(OCC(O)=O)c1
Show InChI InChI=1S/C20H19ClN2O4/c1-10(2)13-8-17-15(20(26)23-11(3)22-17)7-14(13)12-4-5-16(21)18(6-12)27-9-19(24)25/h4-8,10H,9H2,1-3H3,(H,24,25)(H,22,23,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50180705
PNG
(6-(4-chloro-3-hydroxy-phenyl)-7-isopropyl-2-methyl...)
Show SMILES CC(C)c1cc2nc(C)[nH]c(=O)c2cc1-c1ccc(Cl)c(O)c1
Show InChI InChI=1S/C18H17ClN2O2/c1-9(2)12-8-16-14(18(23)21-10(3)20-16)7-13(12)11-4-5-15(19)17(22)6-11/h4-9,22H,1-3H3,(H,20,21,23)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay


J Med Chem 49: 471-4 (2006)


Article DOI: 10.1021/jm051058x
BindingDB Entry DOI: 10.7270/Q2RX9BNT
More data for this
Ligand-Target Pair