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BDBM50060429 (R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-ethanol::CHEMBL313714
SMILES: OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
InChI Key: InChIKey=HNKDAQNYMJNLCC-SANMLTNESA-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 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells) | Bioorg Med Chem Lett 13: 4409-13 (2003) BindingDB Entry DOI: 10.7270/Q2HT2NR1 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement. | J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]-5-HT displacement. | J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.10 | 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 | |||||||||||||
| Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned rat 5-hydroxytryptamine 7 receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HTR6 (RAT) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned rat 5-hydroxytryptamine 6 receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1A receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1E receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1F receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 5A (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was tested for the displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 5A receptor receptor stably expressed in CHO cells | J Med Chem 42: 4981-5001 (2000) BindingDB Entry DOI: 10.7270/Q20P0Z77 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Measurement of agonist induced [35S]-GTP-gammaS, binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor. | J Med Chem 40: 3497-500 (1997) Article DOI: 10.1021/jm9704558 BindingDB Entry DOI: 10.7270/Q2JQ103J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50060429 ((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | 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 | |||||||||||||
