Found 789 hits with Last Name = 'herrick-davis' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038677
((4-Bromo-benzyl)-[2-(5-methoxy-1H-indol-3-yl)-ethy...)Show InChI InChI=1S/C18H19BrN2O/c1-22-16-6-7-18-17(10-16)14(12-21-18)8-9-20-11-13-2-4-15(19)5-3-13/h2-7,10,12,20-21H,8-9,11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038672
(Benzyl-[2-(4-bromo-2,5-dimethoxy-phenyl)-ethyl]-am...)Show InChI InChI=1S/C17H20BrNO2/c1-20-16-11-15(18)17(21-2)10-14(16)8-9-19-12-13-6-4-3-5-7-13/h3-7,10-11,19H,8-9,12H2,1-2H3 | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038675
((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...)Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038665
(CHEMBL57939 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...)Show InChI InChI=1S/C17H19BrINO2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 | PDB
MMDB
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PC sid
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| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity against rat Dopamine receptor D2. |
J Med Chem 41: 5084-93 (1999)
Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50068530
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1 Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity against rat Dopamine receptor D2. |
J Med Chem 41: 5084-93 (1999)
Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50068530
(1-Cyclohexyl-8-[4-(4-fluoro-phenyl)-4-oxo-butyl]-1...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1CCCCC1 Show InChI InChI=1S/C23H32FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h8-11,20H,1-7,12-17H2,(H,25,29) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells. |
J Med Chem 41: 5084-93 (1999)
Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| Article
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 861: 140-5 (1998)
Article DOI: 10.1111/j.1749-6632.1998.tb10185.x
BindingDB Entry DOI: 10.7270/Q2CV4G8J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50024204
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 861: 140-5 (1998)
Article DOI: 10.1111/j.1749-6632.1998.tb10185.x
BindingDB Entry DOI: 10.7270/Q2CV4G8J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine 1D receptor
(Bos taurus (Bovine)) | BDBM50027065
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4| Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Neurochem 53: 465-71 (1989)
Article DOI: 10.1111/j.1471-4159.1989.tb07357.x
BindingDB Entry DOI: 10.7270/Q20000K7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50005267
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049091
(2-(5-Heptyloxy-1H-indol-3-yl)-ethylamine | CHEMBL3...)Show InChI InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 861: 140-5 (1998)
Article DOI: 10.1111/j.1749-6632.1998.tb10185.x
BindingDB Entry DOI: 10.7270/Q2CV4G8J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049093
(CHEMBL321190 | Nonanoic acid 3-(2-dimethylamino-et...)Show InChI InChI=1S/C21H32N2O2/c1-4-5-6-7-8-9-10-21(24)25-18-11-12-20-19(15-18)17(16-22-20)13-14-23(2)3/h11-12,15-16,22H,4-10,13-14H2,1-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50049085
(1-[3-(2-Amino-ethyl)-1H-indol-5-yl]-ethanone | Ace...)Show InChI InChI=1S/C12H14N2O/c1-8(15)9-2-3-12-11(6-9)10(4-5-13)7-14-12/h2-3,6-7,14H,4-5,13H2,1H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement. |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM22867
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12| Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50049077
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement. |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038675
((4-Bromo-benzyl)-[2-(4-bromo-2,5-dimethoxy-phenyl)...)Show InChI InChI=1S/C17H19Br2NO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50049082
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement. |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049077
(2-(5-Pentyloxy-1H-indol-3-yl)-ethylamine | CHEMBL1...)Show InChI InChI=1S/C15H22N2O/c1-2-3-4-9-18-13-5-6-15-14(10-13)12(7-8-16)11-17-15/h5-6,10-11,17H,2-4,7-9,16H2,1H3 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| PDB
Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement. |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells. |
J Med Chem 41: 5084-93 (1999)
Article DOI: 10.1021/jm980452a
BindingDB Entry DOI: 10.7270/Q2CZ369B |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine 1D receptor
(Bos taurus (Bovine)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Neurochem 53: 465-71 (1989)
Article DOI: 10.1111/j.1471-4159.1989.tb07357.x
BindingDB Entry DOI: 10.7270/Q20000K7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049081
(2-[5-(8,8-Dimethyl-nonyloxy)-1H-indol-3-yl]-ethyla...)Show InChI InChI=1S/C21H34N2O/c1-21(2,3)12-7-5-4-6-8-14-24-18-9-10-20-19(15-18)17(11-13-22)16-23-20/h9-10,15-16,23H,4-8,11-14,22H2,1-3H3 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049084
(2-[5-(7,7-Dimethyl-octyloxy)-1H-indol-3-yl]-ethyla...)Show InChI InChI=1S/C20H32N2O/c1-20(2,3)11-6-4-5-7-13-23-17-8-9-19-18(14-17)16(10-12-21)15-22-19/h8-9,14-15,22H,4-7,10-13,21H2,1-3H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 295: 226-32 (2000)
BindingDB Entry DOI: 10.7270/Q29P3064 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50024204
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Ann N Y Acad Sci 861: 140-5 (1998)
Article DOI: 10.1111/j.1749-6632.1998.tb10185.x
BindingDB Entry DOI: 10.7270/Q2CV4G8J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM21342
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM21342
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038678
(CHEMBL57000 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...)Show InChI InChI=1S/C11H16BrNO2/c1-13-5-4-8-6-11(15-3)9(12)7-10(8)14-2/h6-7,13H,4-5H2,1-3H3 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50091069
(2-[2,6-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-met...)Show InChI InChI=1S/C20H27NO2/c1-15(21)12-18-19(22-2)13-17(14-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor |
J Med Chem 43: 3074-84 (2000)
BindingDB Entry DOI: 10.7270/Q2NZ86VW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50108309
(2-(3H-Benzo[e]indol-1-yl)-1-methyl-ethylamine | CH...)Show InChI InChI=1S/C15H16N2/c1-10(16)8-12-9-17-14-7-6-11-4-2-3-5-13(11)15(12)14/h2-7,9-10,17H,8,16H2,1H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Tested for binding affinity of the compound towards 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 12: 155-8 (2001)
BindingDB Entry DOI: 10.7270/Q21G0KKD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049082
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50049082
(2-(5-Octyloxy-1H-indol-3-yl)-ethylamine | CHEMBL32...)Show InChI InChI=1S/C18H28N2O/c1-2-3-4-5-6-7-12-21-16-8-9-18-17(13-16)15(10-11-19)14-20-18/h8-9,13-14,20H,2-7,10-12,19H2,1H3 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM28582
(1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine | CHE...)Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement. |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50005257
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
Synapse 35: 144-50 (2000)
Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038676
(CHEMBL58136 | [2-(4-Bromo-2,5-dimethoxy-phenyl)-et...)Show InChI InChI=1S/C17H19BrFNO2/c1-21-16-10-15(18)17(22-2)9-13(16)7-8-20-11-12-3-5-14(19)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 | PDB
MMDB
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| CHEMBL
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Medical College
Curated by PDSP Ki Database
| |
J Neurochem 53: 465-71 (1989)
Article DOI: 10.1111/j.1471-4159.1989.tb07357.x
BindingDB Entry DOI: 10.7270/Q20000K7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50108306
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2C receptor using [3H]-DOB as radioligand |
Bioorg Med Chem Lett 12: 155-8 (2001)
BindingDB Entry DOI: 10.7270/Q21G0KKD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50108306
((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...)Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1 | PDB
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| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DOB from human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 12: 155-8 (2001)
BindingDB Entry DOI: 10.7270/Q21G0KKD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50091065
(2-[2,3-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-met...)Show InChI InChI=1S/C20H27NO2/c1-15(21)14-18-13-12-17(19(22-2)20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13,15H,7,10-11,14,21H2,1-3H3 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor |
J Med Chem 43: 3074-84 (2000)
BindingDB Entry DOI: 10.7270/Q2NZ86VW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards cloned human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-8-OH-DPAT as radioligand |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50091079
(2-[3,5-Dimethoxy-4-(3-phenyl-propyl)-phenyl]-1-met...)Show InChI InChI=1S/C20H27NO2/c1-15(21)12-17-13-19(22-2)18(20(14-17)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor |
J Med Chem 43: 3074-84 (2000)
BindingDB Entry DOI: 10.7270/Q2NZ86VW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50038691
(CHEMBL58579 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]-...)Show InChI InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3 | PDB
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CHEMBL
PC cid
PC sid
UniChem
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI. |
J Med Chem 37: 1929-35 (1994)
BindingDB Entry DOI: 10.7270/Q2GQ6WT0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1D receptor was determined in calf striatum homogenate |
J Med Chem 39: 314-22 (1996)
Article DOI: 10.1021/jm950498t
BindingDB Entry DOI: 10.7270/Q2DJ5DRK |
More data for this
Ligand-Target Pair | |
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