Found 1571 hits with Last Name = 'booth' and Initial = 'r' 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 |
|---|
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| Article
PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | KEGG
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| 0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase (DHFR) from Leishmania major |
J Med Chem 30: 1218-24 (1987)
Checked by Author
BindingDB Entry DOI: 10.7270/Q21V5FJ0 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | UniProtKB/SwissProt
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| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | UniProtKB/SwissProt
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50079527
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11- | PDB
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1166-78 (2002)
Article DOI: 10.1124/jpet.301.3.1166
BindingDB Entry DOI: 10.7270/Q2V69H4V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | UniProtKB/SwissProt
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| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | UniProtKB/SwissProt
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50541118
(CHEMBL4637900)Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1Cl |r| Show InChI InChI=1S/C22H28ClN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1 | PDB
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| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | UniProtKB/SwissProt
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| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | UniProtKB/SwissProt
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| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1166-78 (2002)
Article DOI: 10.1124/jpet.301.3.1166
BindingDB Entry DOI: 10.7270/Q2V69H4V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | UniProtKB/SwissProt
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| 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86174
(CAS_486-12-4 | NSC_5282443 | Triprolidine)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3 | UniProtKB/SwissProt
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| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 274-81 (2004)
Article DOI: 10.1124/jpet.104.070086
BindingDB Entry DOI: 10.7270/Q27S7MB9 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | UniProtKB/SwissProt
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| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50541149
(CHEMBL4647808)Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | PDB
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| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | PDB
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| 1.11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | UniProtKB/SwissProt
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| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | UniProtKB/SwissProt
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| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 311: 274-81 (2004)
Article DOI: 10.1124/jpet.104.070086
BindingDB Entry DOI: 10.7270/Q27S7MB9 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22567
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3 | PDB
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PubMed
| 1.18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001888
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 301: 1166-78 (2002)
Article DOI: 10.1124/jpet.301.3.1166
BindingDB Entry DOI: 10.7270/Q2V69H4V |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | UniProtKB/SwissProt
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| 1.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50541140
(CHEMBL4641769)Show InChI InChI=1S/C20H22FN/c21-20-9-2-1-7-19(20)18-8-5-6-15-14-16(10-11-17(15)18)22-12-3-4-13-22/h1-2,5-9,16H,3-4,10-14H2 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86033
(cis-H2-PAT(+/-) | trans-H2-PAT(+/-))Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3 | UniProtKB/SwissProt
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| 1.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86033
(cis-H2-PAT(+/-) | trans-H2-PAT(+/-))Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3 | UniProtKB/SwissProt
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| 1.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50292411
((E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)py...)Show InChI InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+ | PDB
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| 1.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
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| 1.54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | PDB
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| 1.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | PDB
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| 1.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50541117
(CHEMBL4639661)Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)cccc2-c1ccccc1F |r| Show InChI InChI=1S/C22H28FN/c1-3-14-24(15-4-2)18-12-13-19-17(16-18)8-7-10-20(19)21-9-5-6-11-22(21)23/h5-11,18H,3-4,12-16H2,1-2H3/t18-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | UniProtKB/SwissProt
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| 1.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50065035
(CHEMBL3402657)Show SMILES Cl.CN(C)[C@@H]1C[C@@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m0./s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells |
Bioorg Med Chem 23: 1588-600 (2015)
Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50065036
(CHEMBL3402656)Show SMILES Cl.CN(C)[C@H]1C[C@H](C2CCCCC2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H27N.ClH/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14;/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3;1H/t16-,18-;/m1./s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells |
Bioorg Med Chem 23: 1588-600 (2015)
Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells |
Bioorg Med Chem 23: 1588-600 (2015)
Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM22869
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3 | UniProtKB/SwissProt
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| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | 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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Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Qatar University
Curated by ChEMBL
| Assay Description
Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 21: 6714-23 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.046
BindingDB Entry DOI: 10.7270/Q23B60JF |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM86033
(cis-H2-PAT(+/-) | trans-H2-PAT(+/-))Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3 | PDB
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| 2.49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM86032
(trans-H2-PAT(-) | trans-PAT)Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | PDB
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| 2.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50065014
(CHEMBL3402677)Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells |
Bioorg Med Chem 23: 1588-600 (2015)
Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010 |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM86031
(cis-H2-PAT(-))Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m0/s1 | UniProtKB/SwissProt
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| 3.92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50065018
(CHEMBL3402673)Show SMILES Cl.CN(C)[C@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20BrN.ClH/c1-20(2)16-11-14-6-3-4-9-17(14)18(12-16)13-7-5-8-15(19)10-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis |
Bioorg Med Chem 23: 1588-600 (2015)
Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50541150
(CHEMBL4639638)Show InChI InChI=1S/C18H20FN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50065024
(CHEMBL3402667)Show SMILES Cl.CN(C)[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H20FN.ClH/c1-20(2)16-11-14-5-3-4-6-17(14)18(12-16)13-7-9-15(19)10-8-13;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description
Binding affinity to human histamine H3 receptor expressed in HEK293 cells |
Bioorg Med Chem 23: 1588-600 (2015)
Article DOI: 10.1016/j.bmc.2015.01.060
BindingDB Entry DOI: 10.7270/Q2TF0010 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50541138
(CHEMBL4641654)Show InChI InChI=1S/C18H20ClN/c1-20(2)14-10-11-15-13(12-14)6-5-8-16(15)17-7-3-4-9-18(17)19/h3-9,14H,10-12H2,1-2H3 | PDB
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KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT7A receptor expressed in HEK293 cell membranes incubated for 90 mins by scintillation cou... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM86033
(cis-H2-PAT(+/-) | trans-H2-PAT(+/-))Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3 | PDB
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| PC cid
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| Article
PubMed
| 4.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | 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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| DrugBank
Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Qatar University
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 21: 6714-23 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.046
BindingDB Entry DOI: 10.7270/Q23B60JF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50541119
(CHEMBL4649289)Show InChI InChI=1S/C16H19NS/c1-17(2)13-8-9-14-12(11-13)5-3-6-15(14)16-7-4-10-18-16/h3-7,10,13H,8-9,11H2,1-2H3/t13-/m0/s1 | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-carboxamidotryptamine from human 5-HT1A receptor expressed in HEK293T cell membranes incubated for 90 mins by scintillation co... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115262
BindingDB Entry DOI: 10.7270/Q2SX6HRD |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM35938
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 | PDB
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| DrugBank
Article
PubMed
| 4.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 328-36 (2002)
Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1 |
More data for this
Ligand-Target Pair | |
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