BDBM50258611 1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)benzene::CHEMBL511603
SMILES: Cc1nc(cs1)C#Cc1cc(F)cc(c1)-c1cccnc1
InChI Key: InChIKey=YSZKSMMSKUUKKE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Metabotropic glutamate receptor 5 (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]MPEP from cloned mGluR5 (unknown origin) expressed in HEK293T cells by scintillation counting | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human NET expressed in HEK293 cells | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human SERT expressed in HEK293 cells | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Inhibition of dopamine uptake at human DAT expressed in HEK293 cells | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Inhibition of serotonin uptake at human SERT expressed in HEK293 cells | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Metabotropic glutamate receptor (Rattus norvegicus (Rat)) | BDBM50258611 (1-Fluoro-3-(pyridin-3-yl)-5-(2-methylthiazol-4ylet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate cha... | J Med Chem 52: 3563-75 (2009) Article DOI: 10.1021/jm900172f BindingDB Entry DOI: 10.7270/Q2K937FV | |||||||||||
More data for this Ligand-Target Pair |