BDBM50183233 1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)methyl)cyclopropanecarboxylic acid::CHEMBL206884
SMILES: C[C@H]([C@@H](c1ccc2cc(OCC3(CC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
InChI Key: InChIKey=PVEQEQGWTRAWFX-IERDGZPVSA-N
Data: 2 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)) | BDBM50183233 (1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 16: 2729-33 (2006) Article DOI: 10.1016/j.bmcl.2006.02.020 BindingDB Entry DOI: 10.7270/Q24Q7TK9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome CYP26A1 (Homo sapiens (Human)) | BDBM50183233 (1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
OSI Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of CYP26 expressed in human T47D cell line | Bioorg Med Chem Lett 16: 2729-33 (2006) Article DOI: 10.1016/j.bmcl.2006.02.020 BindingDB Entry DOI: 10.7270/Q24Q7TK9 | |||||||||||
More data for this Ligand-Target Pair |