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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'momen' and Initial = 's'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347177
PNG
(CHEMBL1797687)
Show SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C |r,THB:6:5:20:19.13.12|
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.0380n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347179
PNG
(CHEMBL1797689)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1 |r|
Show InChI InChI=1S/C20H25NO3/c22-15-4-3-14-9-18-20(24)6-5-16(23)11-19(20,17(14)10-15)7-8-21(18)12-13-1-2-13/h3-4,10,13,18,22,24H,1-2,5-9,11-12H2/t18-,19-,20-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347178
PNG
(CHEMBL1797688)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r|
Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18?,19?,20+,21-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347177
PNG
(CHEMBL1797687)
Show SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc13)C2(C)C |r,THB:6:5:20:19.13.12|
Show InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3/t17-,20?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347178
PNG
(CHEMBL1797688)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(O)CC[C@@]35OC1 |r|
Show InChI InChI=1S/C21H25NO4/c23-14-4-3-13-9-15-21-6-5-19(24,11-25-21)18-20(21,16(13)17(14)26-18)7-8-22(15)10-12-1-2-12/h3-4,12,15,18,23-24H,1-2,5-11H2/t15-,18?,19?,20+,21-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347175
PNG
(CHEMBL1797685)
Show SMILES CN1CCC23CC(=O)CCC2(Cc2ccc(O)cc32)C1
Show InChI InChI=1S/C17H21NO2/c1-18-7-6-17-10-14(20)4-5-16(17,11-18)9-12-2-3-13(19)8-15(12)17/h2-3,8,19H,4-7,9-11H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347174
PNG
(CHEMBL1797684)
Show SMILES Oc1ccc2CC34CCC(=O)CC3(CCN(CC3CC3)C4)c2c1
Show InChI InChI=1S/C20H25NO2/c22-16-4-3-15-10-19-6-5-17(23)11-20(19,18(15)9-16)7-8-21(13-19)12-14-1-2-14/h3-4,9,14,22H,1-2,5-8,10-13H2
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17.4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347176
PNG
(CHEMBL1797686)
Show SMILES Oc1ccc2CC34CCC(=O)CC3(CCN(CC3(O)CC3)C4)c2c1
Show InChI InChI=1S/C20H25NO3/c22-15-2-1-14-10-18-4-3-16(23)11-20(18,17(14)9-15)7-8-21(12-18)13-19(24)5-6-19/h1-2,9,22,24H,3-8,10-13H2
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21.7n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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46.9n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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57.6n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347174
PNG
(CHEMBL1797684)
Show SMILES Oc1ccc2CC34CCC(=O)CC3(CCN(CC3CC3)C4)c2c1
Show InChI InChI=1S/C20H25NO2/c22-16-4-3-15-10-19-6-5-17(23)11-20(19,18(15)9-16)7-8-21(13-19)12-14-1-2-14/h3-4,9,14,22H,1-2,5-8,10-13H2
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58.2n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50347176
PNG
(CHEMBL1797686)
Show SMILES Oc1ccc2CC34CCC(=O)CC3(CCN(CC3(O)CC3)C4)c2c1
Show InChI InChI=1S/C20H25NO3/c22-15-2-1-14-10-18-4-3-16(23)11-20(18,17(14)9-15)7-8-21(12-18)13-19(24)5-6-19/h1-2,9,22,24H,3-8,10-13H2
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77.7n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50347175
PNG
(CHEMBL1797685)
Show SMILES CN1CCC23CC(=O)CCC2(Cc2ccc(O)cc32)C1
Show InChI InChI=1S/C17H21NO2/c1-18-7-6-17-10-14(20)4-5-16(17,11-18)9-12-2-3-13(19)8-15(12)17/h2-3,8,19H,4-7,9-11H2,1H3
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255n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433895
PNG
(CHEMBL2380435)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccc(cc2)C(C)(C)C)cn1
Show InChI InChI=1S/C20H27N3O3/c1-20(2,3)15-5-8-17(9-6-15)26-14-19(25)22-16-7-10-18(21-13-16)23(4)11-12-24/h5-10,13,24H,11-12,14H2,1-4H3,(H,22,25)
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n/an/a 33n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433893
PNG
(CHEMBL2380437)
Show SMILES CN(CCO)c1ncc(NC(=O)COc2ccc(cc2)C(C)(C)C)cc1Cl
Show InChI InChI=1S/C20H26ClN3O3/c1-20(2,3)14-5-7-16(8-6-14)27-13-18(26)23-15-11-17(21)19(22-12-15)24(4)9-10-25/h5-8,11-12,25H,9-10,13H2,1-4H3,(H,23,26)
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n/an/a 44n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433897
PNG
(CHEMBL2380433)
Show SMILES CN(C)c1ccc(NC(=O)COc2ccc(cc2)C(C)(C)C)cn1
Show InChI InChI=1S/C19H25N3O2/c1-19(2,3)14-6-9-16(10-7-14)24-13-18(23)21-15-8-11-17(20-12-15)22(4)5/h6-12H,13H2,1-5H3,(H,21,23)
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n/an/a 59n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433885
PNG
(CHEMBL2380571)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccc(cc2Br)C(C)(C)C)cn1
Show InChI InChI=1S/C20H26BrN3O3/c1-20(2,3)14-5-7-17(16(21)11-14)27-13-19(26)23-15-6-8-18(22-12-15)24(4)9-10-25/h5-8,11-12,25H,9-10,13H2,1-4H3,(H,23,26)
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n/an/a 86n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433886
PNG
(CHEMBL2380570)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccc(cc2C(C)(C)C)C(C)(C)C)cn1
Show InChI InChI=1S/C24H35N3O3/c1-23(2,3)17-8-10-20(19(14-17)24(4,5)6)30-16-22(29)26-18-9-11-21(25-15-18)27(7)12-13-28/h8-11,14-15,28H,12-13,16H2,1-7H3,(H,26,29)
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n/an/a 107n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433889
PNG
(CHEMBL2380567)
Show SMILES CC(C)c1ccc(OCC(=O)Nc2ccc(nc2)N(C)CCO)cc1
Show InChI InChI=1S/C19H25N3O3/c1-14(2)15-4-7-17(8-5-15)25-13-19(24)21-16-6-9-18(20-12-16)22(3)10-11-23/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,21,24)
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n/an/a 110n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433900
PNG
(CHEMBL2380430)
Show SMILES FC(F)(F)c1ccc(nc1)N1CC[C@@H](C1)NC(=O)Nc1ccccc1Br |r|
Show InChI InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433894
PNG
(CHEMBL2380436)
Show SMILES CN(CCO)c1ncc(NC(=O)COc2ccc(cc2)C(C)(C)C)cc1C
Show InChI InChI=1S/C21H29N3O3/c1-15-12-17(13-22-20(15)24(5)10-11-25)23-19(26)14-27-18-8-6-16(7-9-18)21(2,3)4/h6-9,12-13,25H,10-11,14H2,1-5H3,(H,23,26)
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n/an/a 130n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433899
PNG
(CHEMBL2380431)
Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2ccc(nc2)N2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-21(2,3)16-6-9-18(10-7-16)26-15-20(25)23-17-8-11-19(22-14-17)24-12-4-5-13-24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
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n/an/a 411n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433898
PNG
(CHEMBL2380432)
Show SMILES CC(C)(C)c1ccc(OCC(=O)Nc2ccc(nc2)N2CCC(O)C2)cc1
Show InChI InChI=1S/C21H27N3O3/c1-21(2,3)15-4-7-18(8-5-15)27-14-20(26)23-16-6-9-19(22-12-16)24-11-10-17(25)13-24/h4-9,12,17,25H,10-11,13-14H2,1-3H3,(H,23,26)
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n/an/a 516n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433896
PNG
(CHEMBL2380434)
Show SMILES CCN(C)c1ccc(NC(=O)COc2ccc(cc2)C(C)(C)C)cn1
Show InChI InChI=1S/C20H27N3O2/c1-6-23(5)18-12-9-16(13-21-18)22-19(24)14-25-17-10-7-15(8-11-17)20(2,3)4/h7-13H,6,14H2,1-5H3,(H,22,24)
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n/an/a 583n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433891
PNG
(CHEMBL2380565)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cn1
Show InChI InChI=1S/C20H27N3O3/c1-20(2,3)16-7-5-6-8-17(16)26-14-19(25)22-15-9-10-18(21-13-15)23(4)11-12-24/h5-10,13,24H,11-12,14H2,1-4H3,(H,22,25)
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n/an/a 796n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433884
PNG
(CHEMBL2380572)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccc(cc2N2CCCCC2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H36N4O3/c1-25(2,3)19-8-10-22(21(16-19)29-12-6-5-7-13-29)32-18-24(31)27-20-9-11-23(26-17-20)28(4)14-15-30/h8-11,16-17,30H,5-7,12-15,18H2,1-4H3,(H,27,31)
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n/an/a 941n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433892
PNG
(CHEMBL2380564)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2cccc(c2)C(C)(C)C)cn1
Show InChI InChI=1S/C20H27N3O3/c1-20(2,3)15-6-5-7-17(12-15)26-14-19(25)22-16-8-9-18(21-13-16)23(4)10-11-24/h5-9,12-13,24H,10-11,14H2,1-4H3,(H,22,25)
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n/an/a 2.62E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433890
PNG
(CHEMBL2380566)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccccc2)cn1
Show InChI InChI=1S/C16H19N3O3/c1-19(9-10-20)15-8-7-13(11-17-15)18-16(21)12-22-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12H2,1H3,(H,18,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433888
PNG
(CHEMBL2380568)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccc(cc2)C(F)(F)F)cn1
Show InChI InChI=1S/C17H18F3N3O3/c1-23(8-9-24)15-7-4-13(10-21-15)22-16(25)11-26-14-5-2-12(3-6-14)17(18,19)20/h2-7,10,24H,8-9,11H2,1H3,(H,22,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50433887
PNG
(CHEMBL2380569)
Show SMILES CN(CCO)c1ccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)cn1 |TLB:29:20:27:23.24.25,17:20:27:23.24.25,THB:29:24:21.20.28:27,25:24:21:28.26.27,25:26:21:23.29.24|
Show InChI InChI=1S/C26H33N3O3/c1-29(8-9-30)24-7-4-22(16-27-24)28-25(31)17-32-23-5-2-21(3-6-23)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-7,16,18-20,30H,8-15,17H2,1H3,(H,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 transfected in CHOK1 cells assessed as inhibition of capsaicin-induced intracellular calcium level measured for 12...


Bioorg Med Chem Lett 23: 3154-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.016
BindingDB Entry DOI: 10.7270/Q2X63PBZ
More data for this
Ligand-Target Pair