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Target
Cytochrome P450 1B1
Ligand
BDBM50239039
Substrate
n/a
Meas. Tech.
ChEMBL_1664955 (CHEMBL4014751)
IC50
55±n/a nM
Citation
 Mohd Siddique, MU; McCann, GJ; Sonawane, VR; Horley, N; Gatchie, L; Joshi, P; Bharate, SB; Jayaprakash, V; Sinha, BN; Chaudhuri, B Quinazoline derivatives as selective CYP1B1 inhibitors. Eur J Med Chem 130:320-327 (2017) [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:
BDBM50239039
Synonyms:
CHEMBL4098122
Type:
Small organic molecule
Emp. Form.:
C18H11N3O
Mol. Mass.:
285.2994
SMILES:
O=c1c2ccccc2nc2c3[nH]c4ccccc4c3ccn12
Structure:
Search PDB for entries with ligand similarity: