| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1B1 |
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| Ligand | BDBM50536933 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1935152 (CHEMBL4480911) |
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| IC50 | >5000±n/a nM |
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| Citation |  Sonawane, V; Mohd Siddique, MU; Jadav, SS; Sinha, BN; Jayaprakash, V; Chaudhuri, B Cink4T, a quinazolinone-based dual inhibitor of Cdk4 and tubulin polymerization, identified via ligand-based virtual screening, for efficient anticancer therapy. Eur J Med Chem165:115-132 (2019) [PubMed] Article |
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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 |
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| Synonyms: | CP1B1_HUMAN | CYP1B1 | CYPIB1 | Cytochrome P450 1B1 (CYP1B1) |
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| Type: | PROTEIN |
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| Mol. Mass.: | 60861.81 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1474523 |
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| Residue: | 543 |
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| Sequence: | MGTSLSPNDPWPLNPLSIQQTTLLLLLSVLATVHVGQRLLRQRRRQLRSAPPGPFAWPLI
GNAAAVGQAAHLSFARLARRYGDVFQIRLGSCPIVVLNGERAIHQALVQQGSAFADRPAF
ASFRVVSGGRSMAFGHYSEHWKVQRRAAHSMMRNFFTRQPRSRQVLEGHVLSEARELVAL
LVRGSADGAFLDPRPLTVVAVANVMSAVCFGCRYSHDDPEFRELLSHNEEFGRTVGAGSL
VDVMPWLQYFPNPVRTVFREFEQLNRNFSNFILDKFLRHCESLRPGAAPRDMMDAFILSA
EKKAAGDSHGGGARLDLENVPATITDIFGASQDTLSTALQWLLLLFTRYPDVQTRVQAEL
DQVVGRDRLPCMGDQPNLPYVLAFLYEAMRFSSFVPVTIPHATTANTSVLGYHIPKDTVV
FVNQWSVNHDPLKWPNPENFDPARFLDKDGLINKDLTSRVMIFSVGKRRCIGEELSKMQL
FLFISILAHQCDFRANPNEPAKMNFSYGLTIKPKSFKVNVTLRESMELLDSAVQNLQAKE
TCQ
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| BDBM50536933 |
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| n/a |
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| Name | BDBM50536933 |
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| Synonyms: | CHEMBL4061054 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H14N2O5S |
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| Mol. Mass. | 346.358 |
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| SMILES | COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1 |
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| Structure | 
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