BDBM21164 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-1H-imidazole::Imidazole-based ligand, 15
SMILES: COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
InChI Key: InChIKey=HLMBXBGDBBCYII-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 3A4 (Homo sapiens (Human)) | BDBM21164 (1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | 7.4 | 37 |
AstraZeneca | Assay Description The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Bef... | J Med Chem 51: 1755-1763 (2008) Article DOI: 10.1021/jm701121y BindingDB Entry DOI: 10.7270/Q20Z71KZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Short transient receptor potential channel 6 (Mus musculus) | BDBM21164 (1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd Curated by ChEMBL | Assay Description Inhibition of mouse TRPC6 | Bioorg Med Chem Lett 28: 2222-2227 (2018) Article DOI: 10.1016/j.bmcl.2018.03.056 BindingDB Entry DOI: 10.7270/Q2CF9SMH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM21164 (1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca | Assay Description The inhibition of recombinant human CYP2C9 was measured as the ability to perform a demethylation of 7-methoxy-4-trifluoromethylcoumarin (MFC). Befor... | J Med Chem 51: 1755-1763 (2008) Article DOI: 10.1021/jm701121y BindingDB Entry DOI: 10.7270/Q20Z71KZ | |||||||||||
More data for this Ligand-Target Pair |