Reaction Details Report a problem with these data
Target
Cytochrome P450 26B1
Ligand
BDBM151585
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
140±0 nM
Citation
 Diaz, P; Isoherranen, N; Buttrick, B; Guilloteau, N Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase US Patent  US9963439 Publication Date 5/8/2018 
Target
Name:
Cytochrome P450 26B1
Synonyms:
CP26B_HUMAN | CYP26A2 | CYP26A2 | CYP26B1 | Cytochrome P450 26A2 | Cytochrome P450 26B1 | Cytochrome P450 retinoic acid-inactivating 2 | Cytochrome P450RAI-2 | P450RAI2 | Retinoic acid-metabolizing cytochrome
Type:
PROTEIN
Mol. Mass.:
57525.03
Organism:
Homo sapiens (Human)
Description:
ChEMBL_115648
Residue:
512
Sequence:
MLFEGLDLVSALATLAACLVSVTLLLAVSQQLWQLRWAATRDKSCKLPIPKGSMGFPLIGETGHWLLQGSGFQSSRREKYGNVFKTHLLGRPLIRVTGAENVRKILMGEHHLVSTEWPRSTRMLLGPNTVSNSIGDIHRNKRKVFSKIFSHEALESYLPKIQLVIQDTLRAWSSHPEAINVYQEAQKLTFRMAIRVLLGFSIPEEDLGHLFEVYQQFVDNVFSLPVDLPFSGYRRGIQARQILQKGLEKAIREKLQCTQGKDYLDALDLLIESSKEHGKEMTMQELKDGTLELIFAAYATTASASTSLIMQLLKHPTVLEKLRDELRAHGILHSGGCPCEGTLRLDTLSGLRYLDCVIKEVMRLFTPISGGYRTVLQTFELDGFQIPKGWSVMYSIRDTHDTAPVFKDVNVFDPDRFSQARSEDKDGRFHYLPFGGGVRTCLGKHLAKLFLKVLAVELASTSRFELATRTFPRITLVPVLHPVDGLSVKFFGLDSNQNEILPETEAMLSATV
  
Inhibitor
Name:
BDBM151585
Synonyms:
US11739089, Compound Ketoconazole | US8987315, Ketoconazole | US9180183, Ketoconazole | US9271963, Ketoconazole | US9394290, KTZ (ketoconazole) | US9963439, Ketoconazole
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N4O4
Mol. Mass.:
531.431
SMILES:
CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Structure:
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