BDBM50139955 3-[4-((Z)-2-Iodo-vinyl)-phenyl]-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL275212::methyl 3-{4-[(Z)-2-iodovinyl]phenyl}-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
SMILES: COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2C
InChI Key: InChIKey=ABXUYGWOEIXKBD-KTKRTIGZSA-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)) | BDBM50139955 (3-[4-((Z)-2-Iodo-vinyl)-phenyl]-8-methyl-8-aza-bic...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.110 | 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)) | BDBM50139955 (3-[4-((Z)-2-Iodo-vinyl)-phenyl]-8-methyl-8-aza-bic...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 22 | 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)) | BDBM50139955 (3-[4-((Z)-2-Iodo-vinyl)-phenyl]-8-methyl-8-aza-bic...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 450 | 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 |