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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'mcgovern' and Initial = 'rt'   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109179
PNG
(4-[3-(3-{3-[4-(3-Hydroxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(O)c2)c1
Show InChI InChI=1S/C32H40N4O6/c1-20-27(30(38)41-3)29(28(21(2)34-20)31(39)42-4)24-9-5-10-25(18-24)35-32(40)33-14-7-15-36-16-12-22(13-17-36)23-8-6-11-26(37)19-23/h5-6,8-11,18-19,22,27,29,37H,7,12-17H2,1-4H3,(H2,33,35,40)
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2.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109122
PNG
(4-[3-(3-{3-[4-(3-Methoxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1
Show InChI InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,28,30H,8,13-18H2,1-5H3,(H2,34,36,40)
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3.30n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109188
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperidin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)24-10-8-11-25(20-24)36-33(40)34-16-9-17-37-18-14-23(15-19-37)26-12-6-7-13-27(26)41-3/h6-8,10-13,20,23,28,30H,9,14-19H2,1-5H3,(H2,34,36,40)
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4.10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109182
PNG
(4-(3-{3-[3-(4-Cyclohexyl-piperidin-1-yl)-propyl]-u...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)C2CCCCC2)c1
Show InChI InChI=1S/C32H46N4O5/c1-21-27(30(37)40-3)29(28(22(2)34-21)31(38)41-4)25-12-8-13-26(20-25)35-32(39)33-16-9-17-36-18-14-24(15-19-36)23-10-6-5-7-11-23/h8,12-13,20,23-24,27,29H,5-7,9-11,14-19H2,1-4H3,(H2,33,35,39)
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9.5n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109186
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperidin-1-yl)-...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1
Show InChI InChI=1S/C32H40N4O5/c1-21-27(30(37)40-3)29(28(22(2)34-21)31(38)41-4)25-12-8-13-26(20-25)35-32(39)33-16-9-17-36-18-14-24(15-19-36)23-10-6-5-7-11-23/h5-8,10-13,20,24,27,29H,9,14-19H2,1-4H3,(H2,33,35,39)
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10n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109185
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C32H41N5O6/c1-21-27(30(38)42-4)29(28(22(2)34-21)31(39)43-5)23-10-8-11-24(20-23)35-32(40)33-14-9-15-36-16-18-37(19-17-36)25-12-6-7-13-26(25)41-3/h6-8,10-13,20,27,29H,9,14-19H2,1-5H3,(H2,33,35,40)
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12n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50060728
PNG
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)
Show SMILES NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
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15n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109194
PNG
(4-[3-(3-{3-[4-(3-Hydroxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2cccc(O)c2)c1)C(=O)OC
Show InChI InChI=1S/C32H41N5O6/c1-5-43-31(40)28-22(3)34-21(2)27(30(39)42-4)29(28)23-9-6-10-24(19-23)35-32(41)33-13-8-14-36-15-17-37(18-16-36)25-11-7-12-26(38)20-25/h6-7,9-12,19-20,27,29,38H,5,8,13-18H2,1-4H3,(H2,33,35,41)
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37n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109173
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperazin-1-yl)-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2)c1)C(=O)OC
Show InChI InChI=1S/C32H41N5O5/c1-5-42-31(39)28-23(3)34-22(2)27(30(38)41-4)29(28)24-11-9-12-25(21-24)35-32(40)33-15-10-16-36-17-19-37(20-18-36)26-13-7-6-8-14-26/h6-9,11-14,21,27,29H,5,10,15-20H2,1-4H3,(H2,33,35,40)
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66n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109193
PNG
(4-(3-{3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-ureid...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C33H42N4O5/c1-22-28(31(38)41-3)30(29(23(2)35-22)32(39)42-4)26-12-8-13-27(21-26)36-33(40)34-16-9-17-37-18-14-25(15-19-37)20-24-10-6-5-7-11-24/h5-8,10-13,21,25,28,30H,9,14-20H2,1-4H3,(H2,34,36,40)
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84n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109178
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-phenyl-piperidin-1-yl)-...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1)C(=O)OC
Show InChI InChI=1S/C33H42N4O5/c1-5-42-32(39)29-23(3)35-22(2)28(31(38)41-4)30(29)26-13-9-14-27(21-26)36-33(40)34-17-10-18-37-19-15-25(16-20-37)24-11-7-6-8-12-24/h6-9,11-14,21,25,28,30H,5,10,15-20H2,1-4H3,(H2,34,36,40)
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89n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109183
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-o-tolyl-piperazin-1-yl)...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2C)c1)C(=O)OC
Show InChI InChI=1S/C33H43N5O5/c1-6-43-32(40)29-24(4)35-23(3)28(31(39)42-5)30(29)25-12-9-13-26(21-25)36-33(41)34-15-10-16-37-17-19-38(20-18-37)27-14-8-7-11-22(27)2/h7-9,11-14,21,28,30H,6,10,15-20H2,1-5H3,(H2,34,36,41)
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96n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109192
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC
Show InChI InChI=1S/C33H43N5O6/c1-6-44-32(40)29-23(3)35-22(2)28(31(39)43-5)30(29)24-11-9-12-25(21-24)36-33(41)34-15-10-16-37-17-19-38(20-18-37)26-13-7-8-14-27(26)42-4/h7-9,11-14,21,28,30H,6,10,15-20H2,1-5H3,(H2,34,36,41)
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105n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109180
PNG
(4-[3-(3-{3-[4-(2-Hydroxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2O)c1)C(=O)OC
Show InChI InChI=1S/C32H41N5O6/c1-5-43-31(40)28-22(3)34-21(2)27(30(39)42-4)29(28)23-10-8-11-24(20-23)35-32(41)33-14-9-15-36-16-18-37(19-17-36)25-12-6-7-13-26(25)38/h6-8,10-13,20,27,29,38H,5,9,14-19H2,1-4H3,(H2,33,35,41)
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108n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109181
PNG
(4-(3-{3-[3-(4-Biphenyl-3-yl-piperidin-1-yl)-propyl...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(c2)-c2ccccc2)c1
Show InChI InChI=1S/C38H44N4O5/c1-25-33(36(43)46-3)35(34(26(2)40-25)37(44)47-4)31-15-9-16-32(24-31)41-38(45)39-19-10-20-42-21-17-28(18-22-42)30-14-8-13-29(23-30)27-11-6-5-7-12-27/h5-9,11-16,23-24,28,33,35H,10,17-22H2,1-4H3,(H2,39,41,45)
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188n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109190
PNG
(4-[3-(3-{3-[4-(4-Chloro-phenyl)-piperazin-1-yl]-pr...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)cc2)c1)C(=O)OC
Show InChI InChI=1S/C32H40ClN5O5/c1-5-43-31(40)28-22(3)35-21(2)27(30(39)42-4)29(28)23-8-6-9-25(20-23)36-32(41)34-14-7-15-37-16-18-38(19-17-37)26-12-10-24(33)11-13-26/h6,8-13,20,27,29H,5,7,14-19H2,1-4H3,(H2,34,36,41)
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322n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109177
PNG
(4-[3-(3-{3-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(OC)cc2)c1)C(=O)OC
Show InChI InChI=1S/C33H43N5O6/c1-6-44-32(40)29-23(3)35-22(2)28(31(39)43-5)30(29)24-9-7-10-25(21-24)36-33(41)34-15-8-16-37-17-19-38(20-18-37)26-11-13-27(42-4)14-12-26/h7,9-14,21,28,30H,6,8,15-20H2,1-5H3,(H2,34,36,41)
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405n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109184
PNG
(2,6-Dimethyl-4-(3-{3-[3-(4-p-tolyl-piperazin-1-yl)...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(C)cc2)c1)C(=O)OC
Show InChI InChI=1S/C33H43N5O5/c1-6-43-32(40)29-24(4)35-23(3)28(31(39)42-5)30(29)25-9-7-10-26(21-25)36-33(41)34-15-8-16-37-17-19-38(20-18-37)27-13-11-22(2)12-14-27/h7,9-14,21,28,30H,6,8,15-20H2,1-5H3,(H2,34,36,41)
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503n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109176
PNG
(2,6-Dimethyl-4-{3-[3-(3-piperidin-1-yl-propyl)-ure...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCCCC2)c1
Show InChI InChI=1S/C26H36N4O5/c1-17-21(24(31)34-3)23(22(18(2)28-17)25(32)35-4)19-10-8-11-20(16-19)29-26(33)27-12-9-15-30-13-6-5-7-14-30/h8,10-11,16,21,23H,5-7,9,12-15H2,1-4H3,(H2,27,29,33)
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523n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109189
PNG
(4-[3-(3-{3-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)c1)C(=O)OC
Show InChI InChI=1S/C32H39Cl2N5O5/c1-5-44-31(41)28-21(3)36-20(2)27(30(40)43-4)29(28)22-8-6-9-23(18-22)37-32(42)35-12-7-13-38-14-16-39(17-15-38)24-10-11-25(33)26(34)19-24/h6,8-11,18-19,27,29H,5,7,12-17H2,1-4H3,(H2,35,37,42)
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677n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109191
PNG
(5-Cyano-4-[3-(3-{3-[4-(2-methoxy-phenyl)-piperazin...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C31H38N6O4/c1-21-25(20-32)29(28(22(2)34-21)30(38)41-4)23-9-7-10-24(19-23)35-31(39)33-13-8-14-36-15-17-37(18-16-36)26-11-5-6-12-27(26)40-3/h5-7,9-12,19,25,29H,8,13-18H2,1-4H3,(H2,33,35,39)
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684n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109175
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES CCCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC
Show InChI InChI=1S/C35H47N5O6/c1-6-7-22-46-34(42)31-25(3)37-24(2)30(33(41)45-5)32(31)26-12-10-13-27(23-26)38-35(43)36-16-11-17-39-18-20-40(21-19-39)28-14-8-9-15-29(28)44-4/h8-10,12-15,23,30,32H,6-7,11,16-22H2,1-5H3,(H2,36,38,43)
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995n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109174
PNG
(2,6-Dimethyl-4-{3-[3-(3-piperazin-1-yl-propyl)-ure...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCNCC2)c1
Show InChI InChI=1S/C25H35N5O5/c1-16-20(23(31)34-3)22(21(17(2)28-16)24(32)35-4)18-7-5-8-19(15-18)29-25(33)27-9-6-12-30-13-10-26-11-14-30/h5,7-8,15,20,22,26H,6,9-14H2,1-4H3,(H2,27,29,33)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50109187
PNG
(4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-p...)
Show SMILES COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1
Show InChI InChI=1S/C35H47N5O6/c1-23-29(32(41)45-7)31(30(24(2)37-23)33(42)46-35(3,4)5)25-12-10-13-26(22-25)38-34(43)36-16-11-17-39-18-20-40(21-19-39)27-14-8-9-15-28(27)44-6/h8-10,12-15,22,29,31H,11,16-21H2,1-7H3,(H2,36,38,43)
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1.16E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PYY radioligand to human neuropeptide Y1 receptor in SK-N-MC cell membrane


Bioorg Med Chem Lett 12: 379-82 (2002)


Article DOI: 10.1016/s0960-894x(01)00761-2
BindingDB Entry DOI: 10.7270/Q2DJ5DZ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 0.0500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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n/an/a 0.110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285320
PNG
(3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C42H56N6O2/c43-41(49)31-15-21-39-35(25-31)37(27-47-39)29-11-17-33(18-12-29)45-23-9-7-5-3-1-2-4-6-8-10-24-46-34-19-13-30(14-20-34)38-28-48-40-22-16-32(42(44)50)26-36(38)40/h11,13,15-16,21-22,25-28,33-34,45-48H,1-10,12,14,17-20,23-24H2,(H2,43,49)(H2,44,50)
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n/an/a 0.130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285313
PNG
(3-(4-{10-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C40H52N6O2/c41-39(47)29-13-19-37-33(23-29)35(25-45-37)27-9-15-31(16-10-27)43-21-7-5-3-1-2-4-6-8-22-44-32-17-11-28(12-18-32)36-26-46-38-20-14-30(40(42)48)24-34(36)38/h9,11,13-14,19-20,23-26,31-32,43-46H,1-8,10,12,15-18,21-22H2,(H2,41,47)(H2,42,48)
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n/an/a 0.220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285320
PNG
(3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C42H56N6O2/c43-41(49)31-15-21-39-35(25-31)37(27-47-39)29-11-17-33(18-12-29)45-23-9-7-5-3-1-2-4-6-8-10-24-46-34-19-13-30(14-20-34)38-28-48-40-22-16-32(42(44)50)26-36(38)40/h11,13,15-16,21-22,25-28,33-34,45-48H,1-10,12,14,17-20,23-24H2,(H2,43,49)(H2,44,50)
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n/an/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
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n/an/a 0.830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285319
PNG
(3-(4-Heptylamino-cyclohex-1-enyl)-1H-indole-5-carb...)
Show SMILES CCCCCCCNC1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C22H31N3O/c1-2-3-4-5-6-13-24-18-10-7-16(8-11-18)20-15-25-21-12-9-17(22(23)26)14-19(20)21/h7,9,12,14-15,18,24-25H,2-6,8,10-11,13H2,1H3,(H2,23,26)
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n/an/a 1.27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 1.83n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285319
PNG
(3-(4-Heptylamino-cyclohex-1-enyl)-1H-indole-5-carb...)
Show SMILES CCCCCCCNC1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C22H31N3O/c1-2-3-4-5-6-13-24-18-10-7-16(8-11-18)20-15-25-21-12-9-17(22(23)26)14-19(20)21/h7,9,12,14-15,18,24-25H,2-6,8,10-11,13H2,1H3,(H2,23,26)
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n/an/a 1.98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285315
PNG
(3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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n/an/a 2.13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
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n/an/a 2.27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285313
PNG
(3-(4-{10-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C40H52N6O2/c41-39(47)29-13-19-37-33(23-29)35(25-45-37)27-9-15-31(16-10-27)43-21-7-5-3-1-2-4-6-8-22-44-32-17-11-28(12-18-32)36-26-46-38-20-14-30(40(42)48)24-34(36)38/h9,11,13-14,19-20,23-26,31-32,43-46H,1-8,10,12,15-18,21-22H2,(H2,41,47)(H2,42,48)
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n/an/a 2.63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
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n/an/a 2.86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
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n/an/a 3.35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285315
PNG
(3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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n/an/a 12.4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285315
PNG
(3-(4-{2-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C32H36N6O2/c33-31(39)21-5-11-29-25(15-21)27(17-37-29)19-1-7-23(8-2-19)35-13-14-36-24-9-3-20(4-10-24)28-18-38-30-12-6-22(32(34)40)16-26(28)30/h1,3,5-6,11-12,15-18,23-24,35-38H,2,4,7-10,13-14H2,(H2,33,39)(H2,34,40)
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n/an/a 12.6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285312
PNG
(3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)
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n/an/a 14.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50240412
PNG
(3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C37H46N6O2/c38-36(44)26-10-16-34-30(20-26)32(22-42-34)24-6-12-28(13-7-24)40-18-4-2-1-3-5-19-41-29-14-8-25(9-15-29)33-23-43-35-17-11-27(37(39)45)21-31(33)35/h6,8,10-11,16-17,20-23,28-29,40-43H,1-5,7,9,12-15,18-19H2,(H2,38,44)(H2,39,45)
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n/an/a 17.7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285317
PNG
(3-(4-{3-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C33H38N6O2/c34-32(40)22-6-12-30-26(16-22)28(18-38-30)20-2-8-24(9-3-20)36-14-1-15-37-25-10-4-21(5-11-25)29-19-39-31-13-7-23(33(35)41)17-27(29)31/h2,4,6-7,12-13,16-19,24-25,36-39H,1,3,5,8-11,14-15H2,(H2,34,40)(H2,35,41)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285312
PNG
(3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)
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n/an/a 20.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285317
PNG
(3-(4-{3-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C33H38N6O2/c34-32(40)22-6-12-30-26(16-22)28(18-38-30)20-2-8-24(9-3-20)36-14-1-15-37-25-10-4-21(5-11-25)29-19-39-31-13-7-23(33(35)41)17-27(29)31/h2,4,6-7,12-13,16-19,24-25,36-39H,1,3,5,8-11,14-15H2,(H2,34,40)(H2,35,41)
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n/an/a 27.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
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n/an/a 33.9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
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n/an/a 47.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285312
PNG
(3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)
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n/an/a 47.8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
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