BDBM50091095 2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy-phenylamine::CHEMBL107077
SMILES: COc1ccc(Sc2ccccc2CN(C)C)c(N)c1
InChI Key: InChIKey=HYOCZQPMJUZYKD-UHFFFAOYSA-N
Data: 4 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 |
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Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50091095 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand | J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50091095 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health Curated by ChEMBL | Assay Description In vitro binding affinity on cloned Serotonin transporter | J Med Chem 43: 3103-10 (2000) BindingDB Entry DOI: 10.7270/Q2J67G4W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50091095 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health Curated by ChEMBL | Assay Description In vitro binding affinity on cloned Norepinephrine transporter | J Med Chem 43: 3103-10 (2000) BindingDB Entry DOI: 10.7270/Q2J67G4W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50091095 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Centre for Addiction and Mental Health Curated by ChEMBL | Assay Description In vitro binding affinity on cloned Dopamine transporter | J Med Chem 43: 3103-10 (2000) BindingDB Entry DOI: 10.7270/Q2J67G4W | |||||||||||
More data for this Ligand-Target Pair |