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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'asai' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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n/an/a 7n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276176
PNG
(CHEMBL4127228)
Show SMILES Br.Br.O=C(Nc1ccc2cccnc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C28H27N3O/c32-28(30-25-13-11-22-10-7-15-29-27(22)19-25)23-12-14-26(21-8-3-1-4-9-21)24(18-23)20-31-16-5-2-6-17-31/h1,3-4,7-15,18-19H,2,5-6,16-17,20H2,(H,30,32)
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n/an/a 23n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276174
PNG
(CHEMBL4126316)
Show SMILES Cl.CN1C(=O)CCc2ccc(NC(=O)c3ccc(c(CN4CCSCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C28H29N3O2S/c1-30-26-18-24(10-7-21(26)9-12-27(30)32)29-28(33)22-8-11-25(20-5-3-2-4-6-20)23(17-22)19-31-13-15-34-16-14-31/h2-8,10-11,17-18H,9,12-16,19H2,1H3,(H,29,33)
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n/an/a 29n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276180
PNG
(CHEMBL4129437)
Show SMILES Cl.CN1C(=O)CCc2ccc(NC(=O)c3ccc(c(CN4CCCCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C29H31N3O2/c1-31-27-19-25(13-10-22(27)12-15-28(31)33)30-29(34)23-11-14-26(21-8-4-2-5-9-21)24(18-23)20-32-16-6-3-7-17-32/h2,4-5,8-11,13-14,18-19H,3,6-7,12,15-17,20H2,1H3,(H,30,34)
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n/an/a 72n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276195
PNG
(CHEMBL4126350)
Show SMILES Cl.O=C(Nc1ccc2scnc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C26H25N3OS/c30-26(28-22-10-12-25-24(16-22)27-18-31-25)20-9-11-23(19-7-3-1-4-8-19)21(15-20)17-29-13-5-2-6-14-29/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17H2,(H,28,30)
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n/an/a 73n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276175
PNG
(CHEMBL4128057)
Show SMILES Cl.CCN1C(=O)CCc2ccc(NC(=O)c3ccc(c(CN4CCCCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C30H33N3O2/c1-2-33-28-20-26(14-11-23(28)13-16-29(33)34)31-30(35)24-12-15-27(22-9-5-3-6-10-22)25(19-24)21-32-17-7-4-8-18-32/h3,5-6,9-12,14-15,19-20H,2,4,7-8,13,16-18,21H2,1H3,(H,31,35)
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n/an/a 86n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276193
PNG
(CHEMBL4128465)
Show SMILES Cl.O=C(Nc1ccc2CCC(=O)Nc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c32-27-14-11-21-9-12-24(18-26(21)30-27)29-28(33)22-10-13-25(20-7-3-1-4-8-20)23(17-22)19-31-15-5-2-6-16-31/h1,3-4,7-10,12-13,17-18H,2,5-6,11,14-16,19H2,(H,29,33)(H,30,32)
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n/an/a 95n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276194
PNG
(CHEMBL4125851)
Show SMILES Cl.O=C(Nc1ccc2ccc(=O)[nH]c2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C28H27N3O2/c32-27-14-11-21-9-12-24(18-26(21)30-27)29-28(33)22-10-13-25(20-7-3-1-4-8-20)23(17-22)19-31-15-5-2-6-16-31/h1,3-4,7-14,17-18H,2,5-6,15-16,19H2,(H,29,33)(H,30,32)
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n/an/a 98n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20504
PNG
(1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)py...)
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-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276196
PNG
(CHEMBL4128965)
Show SMILES Cl.O=C(Nc1ccc2CC(=O)Nc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-26-16-20-9-11-23(17-25(20)29-26)28-27(32)21-10-12-24(19-7-3-1-4-8-19)22(15-21)18-30-13-5-2-6-14-30/h1,3-4,7-12,15,17H,2,5-6,13-14,16,18H2,(H,28,32)(H,29,31)
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n/an/a 140n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276165
PNG
(CHEMBL4130233)
Show SMILES Cl.CN1C(=O)CCc2ccc(NC(=O)c3ccc(c(CN4CCOCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C28H29N3O3/c1-30-26-18-24(10-7-21(26)9-12-27(30)32)29-28(33)22-8-11-25(20-5-3-2-4-6-20)23(17-22)19-31-13-15-34-16-14-31/h2-8,10-11,17-18H,9,12-16,19H2,1H3,(H,29,33)
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n/an/a 150n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276172
PNG
(CHEMBL4127724)
Show SMILES Cl.Cl.O=C(Nc1cnc2ccccc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C28H27N3O/c32-28(30-25-18-22-11-5-6-12-27(22)29-19-25)23-13-14-26(21-9-3-1-4-10-21)24(17-23)20-31-15-7-2-8-16-31/h1,3-6,9-14,17-19H,2,7-8,15-16,20H2,(H,30,32)
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n/an/a 150n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276182
PNG
(CHEMBL4128521)
Show SMILES OC(=O)C(O)=O.COC[C@@H]1CCCN1Cc1cc(ccc1-c1ccccc1)C(=O)Nc1ccc2CCC(=O)N(C)c2c1 |r|
Show InChI InChI=1S/C30H33N3O3.C2H2O4/c1-32-28-18-25(13-10-22(28)12-15-29(32)34)31-30(35)23-11-14-27(21-7-4-3-5-8-21)24(17-23)19-33-16-6-9-26(33)20-36-2;3-1(4)2(5)6/h3-5,7-8,10-11,13-14,17-18,26H,6,9,12,15-16,19-20H2,1-2H3,(H,31,35);(H,3,4)(H,5,6)/t26-;/m0./s1
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n/an/a 150n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276186
PNG
(CHEMBL4129298)
Show SMILES Cl.O=C(Nc1ccc2OCC(=O)Nc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c31-26-18-33-25-12-10-22(16-24(25)29-26)28-27(32)20-9-11-23(19-7-3-1-4-8-19)21(15-20)17-30-13-5-2-6-14-30/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,28,32)(H,29,31)
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n/an/a 200n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276178
PNG
(CHEMBL4126774)
Show SMILES CN(C)c1ccc(NC(=O)c2ccc(c(CN3CCCCC3)c2)-c2ccccc2)cn1
Show InChI InChI=1S/C26H30N4O/c1-29(2)25-14-12-23(18-27-25)28-26(31)21-11-13-24(20-9-5-3-6-10-20)22(17-21)19-30-15-7-4-8-16-30/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,28,31)
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n/an/a 320n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276185
PNG
(CHEMBL4126963)
Show SMILES OC(=O)C(O)=O.CN1CCCc2ccc(NC(=O)c3ccc(c(CN4CCCCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C29H33N3O/c1-31-16-8-11-23-12-14-26(20-28(23)31)30-29(33)24-13-15-27(22-9-4-2-5-10-22)25(19-24)21-32-17-6-3-7-18-32/h2,4-5,9-10,12-15,19-20H,3,6-8,11,16-18,21H2,1H3,(H,30,33)
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n/an/a 320n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276207
PNG
(CHEMBL4128007)
Show SMILES Cl.COc1cccc(NC(=O)c2ccc(c(CN3CCCCC3)c2)-c2ccccc2)c1
Show InChI InChI=1S/C26H28N2O2/c1-30-24-12-8-11-23(18-24)27-26(29)21-13-14-25(20-9-4-2-5-10-20)22(17-21)19-28-15-6-3-7-16-28/h2,4-5,8-14,17-18H,3,6-7,15-16,19H2,1H3,(H,27,29)
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n/an/a 350n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276198
PNG
(CHEMBL4130182)
Show SMILES Cl.Cl.O=C(Nc1ccc2[nH]ncc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O/c31-26(28-23-10-12-25-21(16-23)17-27-29-25)20-9-11-24(19-7-3-1-4-8-19)22(15-20)18-30-13-5-2-6-14-30/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,27,29)(H,28,31)
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n/an/a 470n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276177
PNG
(CHEMBL4128823)
Show SMILES Cl.Cl.O=C(Nc1ccc2[nH]cnc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O/c31-26(29-22-10-12-24-25(16-22)28-18-27-24)20-9-11-23(19-7-3-1-4-8-19)21(15-20)17-30-13-5-2-6-14-30/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17H2,(H,27,28)(H,29,31)
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n/an/a 480n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276184
PNG
(CHEMBL4127537)
Show SMILES Cl.C[C@@H]1CCCN1Cc1cc(ccc1-c1ccccc1)C(=O)Nc1ccc2CCC(=O)N(C)c2c1 |r|
Show InChI InChI=1S/C29H31N3O2.ClH/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25;/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34);1H/t20-;/m1./s1
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n/an/a 510n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276208
PNG
(CHEMBL4126621)
Show SMILES Cl.Oc1cccc(NC(=O)c2ccc(c(CN3CCCCC3)c2)-c2ccccc2)c1
Show InChI InChI=1S/C25H26N2O2/c28-23-11-7-10-22(17-23)26-25(29)20-12-13-24(19-8-3-1-4-9-19)21(16-20)18-27-14-5-2-6-15-27/h1,3-4,7-13,16-17,28H,2,5-6,14-15,18H2,(H,26,29)
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n/an/a 530n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276181
PNG
(CHEMBL4127571)
Show SMILES Cl.O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c30-25(27-21-10-12-24-23(16-21)28-26(31)32-24)19-9-11-22(18-7-3-1-4-8-18)20(15-19)17-29-13-5-2-6-14-29/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,27,30)(H,28,31)
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n/an/a 580n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276206
PNG
(CHEMBL4130038)
Show SMILES Cl.CN(C)c1cccc(NC(=O)c2ccc(c(CN3CCCCC3)c2)-c2ccccc2)c1
Show InChI InChI=1S/C27H31N3O/c1-29(2)25-13-9-12-24(19-25)28-27(31)22-14-15-26(21-10-5-3-6-11-21)23(18-22)20-30-16-7-4-8-17-30/h3,5-6,9-15,18-19H,4,7-8,16-17,20H2,1-2H3,(H,28,31)
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n/an/a 700n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276187
PNG
(CHEMBL4125986)
Show SMILES Cl.CCCN1C(=O)CCc2ccc(NC(=O)c3ccc(c(CN4CCCCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C31H35N3O2/c1-2-17-34-29-21-27(14-11-24(29)13-16-30(34)35)32-31(36)25-12-15-28(23-9-5-3-6-10-23)26(20-25)22-33-18-7-4-8-19-33/h3,5-6,9-12,14-15,20-21H,2,4,7-8,13,16-19,22H2,1H3,(H,32,36)
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n/an/a 820n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276183
PNG
(CHEMBL4128937)
Show SMILES Cl.C[C@H]1CCCN1Cc1cc(ccc1-c1ccccc1)C(=O)Nc1ccc2CCC(=O)N(C)c2c1 |r|
Show InChI InChI=1S/C29H31N3O2.ClH/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25;/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34);1H/t20-;/m0./s1
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n/an/a 890n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276179
PNG
(CHEMBL4127696)
Show SMILES Cl.CN1C(=O)CCc2ccc(NC(=O)c3ccc(c(CN4CCCC4)c3)-c3ccccc3)cc12
Show InChI InChI=1S/C28H29N3O2/c1-30-26-18-24(12-9-21(26)11-14-27(30)32)29-28(33)22-10-13-25(20-7-3-2-4-8-20)23(17-22)19-31-15-5-6-16-31/h2-4,7-10,12-13,17-18H,5-6,11,14-16,19H2,1H3,(H,29,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50276173
PNG
(CHEMBL4127083)
Show SMILES Cl.O=C(Nc1ccc2CCCC(=O)Nc2c1)c1ccc(c(CN2CCCCC2)c1)-c1ccccc1
Show InChI InChI=1S/C29H31N3O2/c33-28-11-7-10-22-12-14-25(19-27(22)31-28)30-29(34)23-13-15-26(21-8-3-1-4-9-21)24(18-23)20-32-16-5-2-6-17-32/h1,3-4,8-9,12-15,18-19H,2,5-7,10-11,16-17,20H2,(H,30,34)(H,31,33)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cell membranes after 60 mins by scintillation counting method


Bioorg Med Chem 26: 3716-3726 (2018)


Article DOI: 10.1016/j.bmc.2018.06.001
BindingDB Entry DOI: 10.7270/Q2FX7D0K
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM392659
PNG
(US10301286, Example 11)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C30H39ClFN3O3/c1-19-6-8-21(9-7-19)14-27(29(37)38)33-12-13-35(20(2)16-33)28(36)25-18-34(30(3,4)5)17-24(25)23-11-10-22(31)15-26(23)32/h6-11,15,20,24-25,27H,12-14,16-18H2,1-5H3,(H,37,38)/t20-,24-,25+,27-/m0/s1
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n/an/an/an/a 860n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392659
PNG
(US10301286, Example 11)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1ccc(C)cc1)C(O)=O |r|
Show InChI InChI=1S/C30H39ClFN3O3/c1-19-6-8-21(9-7-19)14-27(29(37)38)33-12-13-35(20(2)16-33)28(36)25-18-34(30(3,4)5)17-24(25)23-11-10-22(31)15-26(23)32/h6-11,15,20,24-25,27H,12-14,16-18H2,1-5H3,(H,37,38)/t20-,24-,25+,27-/m0/s1
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n/an/an/an/a 3.70E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392660
PNG
(US10301286, Example 76)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1
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n/an/an/an/a 0.960n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM392660
PNG
(US10301286, Example 76)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392660
PNG
(US10301286, Example 76)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(F)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C30H37ClF3N3O3/c1-17-10-24(32)21(25(33)11-17)13-27(29(39)40)35-8-9-37(18(2)14-35)28(38)23-16-36(30(3,4)5)15-22(23)20-7-6-19(31)12-26(20)34/h6-7,10-12,18,22-23,27H,8-9,13-16H2,1-5H3,(H,39,40)/t18-,22-,23+,27-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392661
PNG
(US10301286, Example 87)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C31H38ClF2N3O4/c1-19-3-4-21(27(33)13-19)14-29(31(39)40)35-9-10-37(20(2)16-35)30(38)26-18-36(23-7-11-41-12-8-23)17-25(26)24-6-5-22(32)15-28(24)34/h3-6,13,15,20,23,25-26,29H,7-12,14,16-18H2,1-2H3,(H,39,40)/t20-,25-,26+,29-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM392661
PNG
(US10301286, Example 87)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C31H38ClF2N3O4/c1-19-3-4-21(27(33)13-19)14-29(31(39)40)35-9-10-37(20(2)16-35)30(38)26-18-36(23-7-11-41-12-8-23)17-25(26)24-6-5-22(32)15-28(24)34/h3-6,13,15,20,23,25-26,29H,7-12,14,16-18H2,1-2H3,(H,39,40)/t20-,25-,26+,29-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392661
PNG
(US10301286, Example 87)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1ccc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C31H38ClF2N3O4/c1-19-3-4-21(27(33)13-19)14-29(31(39)40)35-9-10-37(20(2)16-35)30(38)26-18-36(23-7-11-41-12-8-23)17-25(26)24-6-5-22(32)15-28(24)34/h3-6,13,15,20,23,25-26,29H,7-12,14,16-18H2,1-2H3,(H,39,40)/t20-,25-,26+,29-/m0/s1
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n/an/an/an/a 920n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392662
PNG
(US10301286, Example 88)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1c(C)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C32H40ClF2N3O4/c1-19-12-20(2)25(28(34)13-19)15-30(32(40)41)36-8-9-38(21(3)16-36)31(39)27-18-37(23-6-10-42-11-7-23)17-26(27)24-5-4-22(33)14-29(24)35/h4-5,12-14,21,23,26-27,30H,6-11,15-18H2,1-3H3,(H,40,41)/t21-,26-,27+,30-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM392662
PNG
(US10301286, Example 88)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1c(C)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C32H40ClF2N3O4/c1-19-12-20(2)25(28(34)13-19)15-30(32(40)41)36-8-9-38(21(3)16-36)31(39)27-18-37(23-6-10-42-11-7-23)17-26(27)24-5-4-22(33)14-29(24)35/h4-5,12-14,21,23,26-27,30H,6-11,15-18H2,1-3H3,(H,40,41)/t21-,26-,27+,30-/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392662
PNG
(US10301286, Example 88)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C1CCOCC1)[C@@H](Cc1c(C)cc(C)cc1F)C(O)=O |r|
Show InChI InChI=1S/C32H40ClF2N3O4/c1-19-12-20(2)25(28(34)13-19)15-30(32(40)41)36-8-9-38(21(3)16-36)31(39)27-18-37(23-6-10-42-11-7-23)17-26(27)24-5-4-22(33)14-29(24)35/h4-5,12-14,21,23,26-27,30H,6-11,15-18H2,1-3H3,(H,40,41)/t21-,26-,27+,30-/m0/s1
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n/an/an/an/a 880n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392663
PNG
(US10301286, Example 89)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H43ClFN3O3/c1-19-12-20(2)25(21(3)13-19)15-29(31(39)40)35-10-11-37(22(4)16-35)30(38)27-18-36(32(5,6)7)17-26(27)24-9-8-23(33)14-28(24)34/h8-9,12-14,22,26-27,29H,10-11,15-18H2,1-7H3,(H,39,40)/t22-,26-,27+,29-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM392663
PNG
(US10301286, Example 89)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H43ClFN3O3/c1-19-12-20(2)25(21(3)13-19)15-29(31(39)40)35-10-11-37(22(4)16-35)30(38)27-18-36(32(5,6)7)17-26(27)24-9-8-23(33)14-28(24)34/h8-9,12-14,22,26-27,29H,10-11,15-18H2,1-7H3,(H,39,40)/t22-,26-,27+,29-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392663
PNG
(US10301286, Example 89)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1F)C(C)(C)C)[C@@H](Cc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C32H43ClFN3O3/c1-19-12-20(2)25(21(3)13-19)15-29(31(39)40)35-10-11-37(22(4)16-35)30(38)27-18-36(32(5,6)7)17-26(27)24-9-8-23(33)14-28(24)34/h8-9,12-14,22,26-27,29H,10-11,15-18H2,1-7H3,(H,39,40)/t22-,26-,27+,29-/m0/s1
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n/an/an/an/a 780n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392664
PNG
(US10301286, Example 6)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C34H41F2N3O3/c1-21-17-37(31(33(41)42)15-23-10-11-24-8-6-7-9-25(24)14-23)18-22(2)39(21)32(40)29-20-38(34(3,4)5)19-28(29)27-13-12-26(35)16-30(27)36/h6-14,16,21-22,28-29,31H,15,17-20H2,1-5H3,(H,41,42)/t21-,22+,28-,29+,31-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM392664
PNG
(US10301286, Example 6)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C34H41F2N3O3/c1-21-17-37(31(33(41)42)15-23-10-11-24-8-6-7-9-25(24)14-23)18-22(2)39(21)32(40)29-20-38(34(3,4)5)19-28(29)27-13-12-26(35)16-30(27)36/h6-14,16,21-22,28-29,31H,15,17-20H2,1-5H3,(H,41,42)/t21-,22+,28-,29+,31-/m0/s1
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n/an/an/an/a 6.40E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392664
PNG
(US10301286, Example 6)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C34H41F2N3O3/c1-21-17-37(31(33(41)42)15-23-10-11-24-8-6-7-9-25(24)14-23)18-22(2)39(21)32(40)29-20-38(34(3,4)5)19-28(29)27-13-12-26(35)16-30(27)36/h6-14,16,21-22,28-29,31H,15,17-20H2,1-5H3,(H,41,42)/t21-,22+,28-,29+,31-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392665
PNG
(US10301286, Example 13)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C30H36F5N3O3/c1-18-15-36(26(28(40)41)13-19-5-7-20(8-6-19)30(33,34)35)11-12-38(18)27(39)24-17-37(29(2,3)4)16-23(24)22-10-9-21(31)14-25(22)32/h5-10,14,18,23-24,26H,11-13,15-17H2,1-4H3,(H,40,41)/t18-,23-,24+,26-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM392665
PNG
(US10301286, Example 13)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C30H36F5N3O3/c1-18-15-36(26(28(40)41)13-19-5-7-20(8-6-19)30(33,34)35)11-12-38(18)27(39)24-17-37(29(2,3)4)16-23(24)22-10-9-21(31)14-25(22)32/h5-10,14,18,23-24,26H,11-13,15-17H2,1-4H3,(H,40,41)/t18-,23-,24+,26-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392666
PNG
(US10301286, Example 15 | US10301286, Example 16)
Show SMILES C[C@@H]1CN(CCN1C(Cc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Show InChI InChI=1S/C29H35Cl2F2N3O3/c1-17-14-34(9-10-36(17)26(28(38)39)12-18-5-8-23(30)24(31)11-18)27(37)22-16-35(29(2,3)4)15-21(22)20-7-6-19(32)13-25(20)33/h5-8,11,13,17,21-22,26H,9-10,12,14-16H2,1-4H3,(H,38,39)/t17-,21+,22-,26?/m1/s1
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n/an/an/an/a 490n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392666
PNG
(US10301286, Example 15 | US10301286, Example 16)
Show SMILES C[C@@H]1CN(CCN1C(Cc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C |r|
Show InChI InChI=1S/C29H35Cl2F2N3O3/c1-17-14-34(9-10-36(17)26(28(38)39)12-18-5-8-23(30)24(31)11-18)27(37)22-16-35(29(2,3)4)15-21(22)20-7-6-19(32)13-25(20)33/h5-8,11,13,17,21-22,26H,9-10,12,14-16H2,1-4H3,(H,38,39)/t17-,21+,22-,26?/m1/s1
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n/an/an/an/a 4.90E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392668
PNG
(US10301286, Example 17)
Show SMILES CC(C)(C)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCN(CC11CC1)[C@@H](Cc1ccc2ccccc2c1)C(O)=O |r|
Show InChI InChI=1S/C34H39F2N3O3/c1-33(2,3)38-19-27(26-11-10-25(35)18-29(26)36)28(20-38)31(40)39-15-14-37(21-34(39)12-13-34)30(32(41)42)17-22-8-9-23-6-4-5-7-24(23)16-22/h4-11,16,18,27-28,30H,12-15,17,19-21H2,1-3H3,(H,41,42)/t27-,28+,30-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM392669
PNG
(US10301286, Example 21)
Show SMILES C[C@H]1CN(CCN1C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)[C@@H](Cc1ccc(cc1)C#N)C(O)=O |r|
Show InChI InChI=1S/C30H36F2N4O3/c1-19-16-34(27(29(38)39)13-20-5-7-21(15-33)8-6-20)11-12-36(19)28(37)25-18-35(30(2,3)4)17-24(25)23-10-9-22(31)14-26(23)32/h5-10,14,19,24-25,27H,11-13,16-18H2,1-4H3,(H,38,39)/t19-,24-,25+,27-/m0/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



GSK



Assay Description
Experiment Method(1) Construction of Human MC Receptor-Expressing VectorA human MC4 receptor gene (GenBank Accession No.: NM_005912.2), a human MC1 r...


Bioorg Med Chem Lett 19: 1332-6 (2009)


BindingDB Entry DOI: 10.7270/Q2833VCJ
More data for this
Ligand-Target Pair
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