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BDBM50060437 3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole::3-[3-[4-[2-(3-fluorophenyl)ethyl]-1-piperazinyl]propyl]-5-(4H-1,2,4-triazol-4-yl)-1H-indole::CHEMBL292779::L-775606
SMILES: Fc1cccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)c1
InChI Key: InChIKey=ZUTQCPBDRJBADG-UHFFFAOYSA-N
| 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 1B (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 1B receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting | J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the 5-hydroxytryptamine 1D receptor. | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 1D receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells | J Med Chem 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells | J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of specific [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1B receptor expressed in CHO cells | J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 1E receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 2C receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 3 receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 1F receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 2A receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Agonist induced [35S]-GTP-gammaS, binding in CHO cells expressing 5-HT 1d receptor | J Med Chem 41: 2667-70 (1998) Article DOI: 10.1021/jm980204e BindingDB Entry DOI: 10.7270/Q22Z14PW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells. | J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor. | J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells | J Med Chem 42: 691-705 (1999) Article DOI: 10.1021/jm980569z BindingDB Entry DOI: 10.7270/Q2ZG6RDW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 430 | n/a | n/a | n/a | n/a |
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1B receptor | J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Merck, Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Agonist-induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor | J Med Chem 42: 2087-104 (1999) Article DOI: 10.1021/jm981133m BindingDB Entry DOI: 10.7270/Q2765DHF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse)) | BDBM50060437 (3-(3-{4-[2-(3-Fluoro-phenyl)-ethyl]-piperazin-1-yl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the affinity at 5-hydroxytryptamine 1A receptor | J Med Chem 40: 3501-3 (1997) Article DOI: 10.1021/jm9704560 BindingDB Entry DOI: 10.7270/Q2DZ07D8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
