BDBM50325614 (3-benzyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)methanone::(3-benzylpyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)methanone::(3-benzylpyrrolidin-3yl)(7-fluoro-1H-indol-5-yl)methanone::CHEMBL1224563
SMILES: Fc1cc(cc2cc[nH]c12)C(=O)C1(Cc2ccccc2)CCNC1
InChI Key: InChIKey=ZOOYCXCRVKSAIY-UHFFFAOYSA-N
Data: 3 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)) | BDBM50325614 ((3-benzyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50325614 ((3-benzyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 340 | 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50325614 ((3-benzyl pyrrolidin-3-yl)(7-fluoro-1H-indol-5-yl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 70 | 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 |