BDBM25451 2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol::Abiraterone mimetic, 14
SMILES: Oc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1
InChI Key: InChIKey=DZEUSCNAQKYWAB-UHFFFAOYSA-N
Data: 4 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 |
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Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM25451 (2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 188 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Saarland University | 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 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM25451 (2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description To measure CYP3A4 activity, the product of testosterone 6-hydroxylation, 6beta-hydroxytestosterone was determined. After incubation, the reaction was... | J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human)) | BDBM25451 (2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 991 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro... | J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human)) | BDBM25451 (2-fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University | Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro... | J Med Chem 51: 5009-18 (2008) Article DOI: 10.1021/jm800355c BindingDB Entry DOI: 10.7270/Q2TB156N | |||||||||||
More data for this Ligand-Target Pair |