BDBM50325624 (4,5-dichlorothiophen-2-yl)(3-(3,3-dimethylbutyl)pyrrolidin-3-yl)methanone::CHEMBL1224241
SMILES: CC(C)(C)CCC1(CCNC1)C(=O)c1cc(Cl)c(Cl)s1
InChI Key: InChIKey=AIGSBZFJFSQVPD-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50325624 ((4,5-dichlorothiophen-2-yl)(3-(3,3-dimethylbutyl)p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | Bioorg Med Chem Lett 20: 5559-66 (2010) Article DOI: 10.1016/j.bmcl.2010.07.020 BindingDB Entry DOI: 10.7270/Q20865HF | |||||||||||
More data for this Ligand-Target Pair |