Found 12 hits for monomerid = 50007659 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
Adrenergic alpha1B
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | UniProtKB/SwissProt
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| Article PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of adrenergic alpha1B receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
KEGG
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| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D1 receptor |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
KEGG
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]-N-methyl-citalopram from SERT in human platelets after 60 mins by liquid scintillation counting analysis |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
KEGG
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of [3H]-serotonin uptake in SERT in human platelets |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of adrenergic alpha1A receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Patents
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| Article PubMed
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of histamine H1 receptor (unknown origin) |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human 5HT1A receptor |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50007659
(CHEMBL3233142)Show SMILES Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r| Show InChI InChI=1S/C24H28FN3O.C7H8O3S/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3;2-5H,1H3,(H,8,9,10)/t20-,21-;/m0./s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Intra-Cellular Therapies, Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at human recombinant 5HT2A receptor expressed in HEK293a cells assessed as inhibition of serotonin-induced increase in calcium fl... |
J Med Chem 57: 2670-82 (2014)
Article DOI: 10.1021/jm401958n BindingDB Entry DOI: 10.7270/Q27D2WNZ |
More data for this Ligand-Target Pair | |