BDBM50139954 3-[4-(2,2-Dibromo-vinyl)-phenyl]-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL14924
SMILES: [#6]-[#8]-[#6](=O)-[#6]-1-[#6]-2-[#6]-[#6]-[#6](-[#6]-[#6]-1-c1ccc(\[#6]=[#6](/Br)Br)cc1)-[#7]-2-[#6]
InChI Key: InChIKey=NVNZDUXXKQYTHC-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50139954 (3-[4-(2,2-Dibromo-vinyl)-phenyl]-8-methyl-8-aza-bi...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells | J Med Chem 47: 1122-35 (2004) Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50139954 (3-[4-(2,2-Dibromo-vinyl)-phenyl]-8-methyl-8-aza-bi...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]-RTI-55 as radioligand | J Med Chem 47: 1122-35 (2004) Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50139954 (3-[4-(2,2-Dibromo-vinyl)-phenyl]-8-methyl-8-aza-bi...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 161 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description In vitro binding affinity of the compound was determined against human norepinephrin transporter in human embryonic kidney cell line by using [125I]-... | J Med Chem 47: 1122-35 (2004) Article DOI: 10.1021/jm030384e BindingDB Entry DOI: 10.7270/Q2154GG7 | |||||||||||
More data for this Ligand-Target Pair |