BDBM30853 2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochloride::2-(5-fluoro-1H-indol-3-yl)ethanamine;hydrochloride::2-(5-fluoro-1H-indol-3-yl)ethylamine;hydrochloride::5-F-T::CHEMBL275628::MLS000047815::SMR000033820::cid_197774
SMILES: NCCc1c[nH]c2ccc(F)cc12
InChI Key: InChIKey=ZKIORVIXEWIOGB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serotonin receptor 2a and 2b (5HT2A and 5HT2B) (RAT) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by PDSP Ki Database | J Pharmacol Exp Ther 276: 720-7 (1996) BindingDB Entry DOI: 10.7270/Q29W0D1S | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company Curated by PDSP Ki Database | J Pharmacol Exp Ther 276: 720-7 (1996) BindingDB Entry DOI: 10.7270/Q29W0D1S | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.86E+4 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PN941W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Induction of 5-HTT-mediated 5-HT release in rat brain synaptosomes by [3H]5-HT release assay | Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 464 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Induction of NET-mediated norepinephrine release in rat brain synaptosomes by [3H]NE release assay | Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Induction of DAT-mediated dopamine release in rat brain synaptosomes by [3H]DA release assay | Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay | Bioorg Med Chem Lett 24: 4754-8 (2014) Article DOI: 10.1016/j.bmcl.2014.07.062 BindingDB Entry DOI: 10.7270/Q2416ZNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (MPO) (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Libre de Bruxelles Curated by ChEMBL | Assay Description Inhibition of recombinant MPO mediated taurine chlorination by microplate reader method | J Med Chem 53: 8747-59 (2010) Article DOI: 10.1021/jm1009988 BindingDB Entry DOI: 10.7270/Q24T6JNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (MPO) (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite£? Libre de Bruxelles Curated by ChEMBL | Assay Description Inhibition of recombinant MPO mediated LDL oxidation using MPO/Cl-/H2O2 system | J Med Chem 53: 8747-59 (2010) Article DOI: 10.1021/jm1009988 BindingDB Entry DOI: 10.7270/Q24T6JNJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily M member 8 (TRPM8) (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Renovis, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m... | Bioorg Med Chem Lett 20: 7076-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.099 BindingDB Entry DOI: 10.7270/Q2DN459H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transient receptor potential cation channel subfamily M member 8 (TRPM8) (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Renovis, Inc. Curated by ChEMBL | Assay Description Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi... | Bioorg Med Chem Lett 20: 7076-9 (2010) Article DOI: 10.1016/j.bmcl.2010.09.099 BindingDB Entry DOI: 10.7270/Q2DN459H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (MPO) (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles Curated by ChEMBL | Assay Description Inhibition of recombinant human myeloperoxidase | J Med Chem 55: 7208-18 (2012) Article DOI: 10.1021/jm3007245 BindingDB Entry DOI: 10.7270/Q2PR7X41 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.22E+3 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WW7G03 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM30853 (2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 484 | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q52MZM | |||||||||||
More data for this Ligand-Target Pair |