Reaction Details Report a problem with these data
Target
Cytochrome P450 1B1
Ligand
BDBM50179355
Substrate
n/a
Meas. Tech.
ChEMBL_1583531 (CHEMBL3815618)
IC50
400000±n/a nM
Citation
 Lee, D; Perez, P; Jackson, W; Chin, T; Galbreath, M; Fronczek, FR; Isovitsch, R; Iimoto, DS Aryl morpholino triazenes inhibit cytochrome P450 1A1 and 1B1. Bioorg Med Chem Lett 26:3243-3247 (2016) [PubMed]  Article 
Target
Name:
Cytochrome P450 1B1
Synonyms:
CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1)
Type:
PROTEIN
Mol. Mass.:
60861.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1474523
Residue:
543
Sequence:
MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLIGNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAFASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVALLVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSLVDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSAEKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAELDQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVVFVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQLFLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKETCQ
  
Inhibitor
Name:
BDBM50179355
Synonyms:
CHEMBL3814999
Type:
Small organic molecule
Emp. Form.:
C11H13N3O3
Mol. Mass.:
235.2392
SMILES:
OC(=O)c1ccc(cc1)\N=N\N1CCOCC1
Structure:
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