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10 similar compounds to monomer 50004810

Compile data set for download or QSAR
Wt: 503.5
BDBM50004800
Wt: 503.5
BDBM50004801
Wt: 611.4
BDBM50004804
Wt: 499.6
BDBM50004806
Wt: 485.5
BDBM50004808
Wt: 530.5
BDBM50004809
Wt: 611.4
BDBM50004811
Wt: 515.6
BDBM50004812
Wt: 503.5
BDBM50004816
Wt: 499.6
BDBM50004817

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50004800,50004801,50004804,50004806,50004808,50004809,50004811,50004812,50004816,50004817   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004801
PNG
(3-(3-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-13-11-24(12-14-25)28(36)10-5-17-33-18-15-30(16-19-33)29(37)34(21-23-6-4-7-26(32)20-23)22-35(30)27-8-2-1-3-9-27/h1-4,6-9,11-14,20H,5,10,15-19,21-22H2
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0.0230n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004808
PNG
(3-Benzyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phe...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H32FN3O2/c31-26-15-13-25(14-16-26)28(35)12-7-19-32-20-17-30(18-21-32)29(36)33(22-24-8-3-1-4-9-24)23-34(30)27-10-5-2-6-11-27/h1-6,8-11,13-16H,7,12,17-23H2
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0.0230n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004817
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methyl-be...)
Show SMILES Cc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C31H34FN3O2/c1-24-8-5-6-9-26(24)22-34-23-35(28-10-3-2-4-11-28)31(30(34)37)17-20-33(21-18-31)19-7-12-29(36)25-13-15-27(32)16-14-25/h2-6,8-11,13-16H,7,12,17-23H2,1H3
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0.0330n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004816
PNG
(3-(2-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1F)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-14-12-23(13-15-25)28(36)11-6-18-33-19-16-30(17-20-33)29(37)34(21-24-7-4-5-10-27(24)32)22-35(30)26-8-2-1-3-9-26/h1-5,7-10,12-15H,6,11,16-22H2
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0.0430n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004804
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-iodo-benz...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1I)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31FIN3O2/c31-25-14-12-23(13-15-25)28(36)11-6-18-33-19-16-30(17-20-33)29(37)34(21-24-7-4-5-10-27(24)32)22-35(30)26-8-2-1-3-9-26/h1-5,7-10,12-15H,6,11,16-22H2
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0.0630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004806
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methyl-be...)
Show SMILES Cc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C31H34FN3O2/c1-24-9-11-25(12-10-24)22-34-23-35(28-6-3-2-4-7-28)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)26-13-15-27(32)16-14-26/h2-4,6-7,9-16H,5,8,17-23H2,1H3
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0.0670n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004800
PNG
(3-(4-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-12-8-23(9-13-25)21-34-22-35(27-5-2-1-3-6-27)30(29(34)37)16-19-33(20-17-30)18-4-7-28(36)24-10-14-26(32)15-11-24/h1-3,5-6,8-15H,4,7,16-22H2
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0.0690n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine receptor D2


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004812
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methoxy-b...)
Show SMILES COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C31H34FN3O3/c1-38-28-15-9-24(10-16-28)22-34-23-35(27-6-3-2-4-7-27)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)25-11-13-26(32)14-12-25/h2-4,6-7,9-16H,5,8,17-23H2,1H3
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0.0870n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004809
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-ben...)
Show SMILES [O-][N+](=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C30H31FN4O4/c31-25-12-10-24(11-13-25)28(36)7-4-18-32-19-16-30(17-20-32)29(37)33(22-34(30)26-5-2-1-3-6-26)21-23-8-14-27(15-9-23)35(38)39/h1-3,5-6,8-15H,4,7,16-22H2
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0.119n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004811
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-iodo-benz...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccc(I)cc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31FIN3O2/c31-25-12-10-24(11-13-25)28(36)7-4-18-33-19-16-30(17-20-33)29(37)34(21-23-8-14-26(32)15-9-23)22-35(30)27-5-2-1-3-6-27/h1-3,5-6,8-15H,4,7,16-22H2
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0.213n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004808
PNG
(3-Benzyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1-phe...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H32FN3O2/c31-26-15-13-25(14-16-26)28(35)12-7-19-32-20-17-30(18-21-32)29(36)33(22-24-8-3-1-4-9-24)23-34(30)27-10-5-2-6-11-27/h1-6,8-11,13-16H,7,12,17-23H2
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3.20n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004816
PNG
(3-(2-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1F)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-14-12-23(13-15-25)28(36)11-6-18-33-19-16-30(17-20-33)29(37)34(21-24-7-4-5-10-27(24)32)22-35(30)26-8-2-1-3-9-26/h1-5,7-10,12-15H,6,11,16-22H2
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4.40n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004801
PNG
(3-(3-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1cccc(F)c1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-13-11-24(12-14-25)28(36)10-5-17-33-18-15-30(16-19-33)29(37)34(21-23-6-4-7-26(32)20-23)22-35(30)27-8-2-1-3-9-27/h1-4,6-9,11-14,20H,5,10,15-19,21-22H2
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5.30n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004817
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-methyl-be...)
Show SMILES Cc1ccccc1CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C31H34FN3O2/c1-24-8-5-6-9-26(24)22-34-23-35(28-10-3-2-4-11-28)31(30(34)37)17-20-33(21-18-31)19-7-12-29(36)25-13-15-27(32)16-14-25/h2-6,8-11,13-16H,7,12,17-23H2,1H3
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9.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004812
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methoxy-b...)
Show SMILES COc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C31H34FN3O3/c1-38-28-15-9-24(10-16-28)22-34-23-35(27-6-3-2-4-7-27)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)25-11-13-26(32)14-12-25/h2-4,6-7,9-16H,5,8,17-23H2,1H3
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12n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004809
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-nitro-ben...)
Show SMILES [O-][N+](=O)c1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C30H31FN4O4/c31-25-12-10-24(11-13-25)28(36)7-4-18-32-19-16-30(17-20-32)29(37)33(22-34(30)26-5-2-1-3-6-26)21-23-8-14-27(15-9-23)35(38)39/h1-3,5-6,8-15H,4,7,16-22H2
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14n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004804
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(2-iodo-benz...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccccc1I)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31FIN3O2/c31-25-14-12-23(13-15-25)28(36)11-6-18-33-19-16-30(17-20-33)29(37)34(21-24-7-4-5-10-27(24)32)22-35(30)26-8-2-1-3-9-26/h1-5,7-10,12-15H,6,11,16-22H2
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19n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004800
PNG
(3-(4-Fluoro-benzyl)-8-[4-(4-fluoro-phenyl)-4-oxo-b...)
Show SMILES Fc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C30H31F2N3O2/c31-25-12-8-23(9-13-25)21-34-22-35(27-5-2-1-3-6-27)30(29(34)37)16-19-33(20-17-30)18-4-7-28(36)24-10-14-26(32)15-11-24/h1-3,5-6,8-15H,4,7,16-22H2
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21n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004806
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-methyl-be...)
Show SMILES Cc1ccc(CN2CN(c3ccccc3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)cc1
Show InChI InChI=1S/C31H34FN3O2/c1-24-9-11-25(12-10-24)22-34-23-35(28-6-3-2-4-7-28)31(30(34)37)17-20-33(21-18-31)19-5-8-29(36)26-13-15-27(32)16-14-26/h2-4,6-7,9-16H,5,8,17-23H2,1H3
UniProtKB/SwissProt

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UniChem

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PubMed
37n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50004811
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-(4-iodo-benz...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(Cc1ccc(I)cc1)C2=O)c1ccccc1
Show InChI InChI=1S/C30H31FIN3O2/c31-25-12-10-24(11-13-25)28(36)7-4-18-33-19-16-30(17-20-33)29(37)34(21-23-8-14-26(32)15-9-23)22-35(30)27-5-2-1-3-6-27/h1-3,5-6,8-15H,4,7,16-22H2
UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
89n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand


J Med Chem 35: 423-30 (1992)


Article DOI: 10.1021/jm00081a002
BindingDB Entry DOI: 10.7270/Q2B85725
More data for this
Ligand-Target Pair