BDBM9918 4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)methyl]benzonitrile::CHEMBL225079::Nonsteroidal Aromatase Inhibitor 3R
SMILES: O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1
InChI Key: InChIKey=ZYDFLNTVLZWITD-LJQANCHMSA-N
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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Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM9918 (4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...) | 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 | 110 | n/a | n/a | n/a | n/a | 7.4 | 30 |
University of Bologna | Assay Description The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta,2beta-3H]testosterone during aromatization. After incubation, the ... | J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM9918 (4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade de Coimbra Curated by ChEMBL | Assay Description Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH | J Med Chem 52: 143-50 (2009) Article DOI: 10.1021/jm800945c BindingDB Entry DOI: 10.7270/Q2SQ9080 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM9918 (4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)meth...) | PDB 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 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
University of Bologna | Assay Description The 17 alpha-hydroxylase activity of CYP 17 was determined by measuring the conversion of progesterone into 17 alpha-hydroxyprogesterone and the bypr... | J Med Chem 48: 7282-9 (2005) Article DOI: 10.1021/jm058042r BindingDB Entry DOI: 10.7270/Q2JS9NN9 | |||||||||||
More data for this Ligand-Target Pair |