Reaction Details |
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Target | Cytochrome P450 1B1 |
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Ligand | BDBM50108053 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_51379 (CHEMBL663710) |
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IC50 | 4900±n/a nM |
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Citation | Kim, S; Ko, H; Park, JE; Jung, S; Lee, SK; Chun, YJ Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors. J Med Chem45:160-4 (2001) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 1B1 |
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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: | MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLI
GNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAF
ASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVAL
LVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSL
VDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSA
EKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAEL
DQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVV
FVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQL
FLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKE
TCQ
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BDBM50108053 |
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n/a |
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Name | BDBM50108053 |
Synonyms: | (3,5-Dimethoxy-benzylidene)-(2,4-dimethoxy-phenyl)-amine | CHEMBL44156 |
Type | Small organic molecule |
Emp. Form. | C17H19NO4 |
Mol. Mass. | 301.3371 |
SMILES | COc1ccc(\N=C\c2cc(OC)cc(OC)c2)c(OC)c1 |
Structure |
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