BDBM50540120 CHEMBL4648300
SMILES: COc1ccc(CC(O)CN2CCN(CC[S+]([O-])C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChI Key: InChIKey=RYFOCVWJVOBSPF-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 |
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Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50540120 (CHEMBL4648300) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 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 [3H]WIN35428 from DAT in Sprague-Dawley rat striatum membranes incubated for 120 mins by microbeta scintillation counting method | J Med Chem 63: 2343-2357 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50540120 (CHEMBL4648300) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 32 | 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]-(+)-pentazocine from Sigma1 receptor in guinea pig cortex membranes incubated for 120 mins by microbeta scintillation counting m... | J Med Chem 63: 2343-2357 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50540120 (CHEMBL4648300) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 1.46E+4 | 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]citalopram from SERT in Sprague-Dawley rat midbrain membranes incubated for 60 mins by microbeta scintillation counting method | J Med Chem 63: 2343-2357 (2020) | |||||||||||
More data for this Ligand-Target Pair |