| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 1B1 |
|---|
| Ligand | BDBM50562254 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2077757 (CHEMBL4733548) |
|---|
| IC50 | 0.070000±n/a nM |
|---|
| Citation |  Dong, J; Huang, G; Cui, Q; Meng, Q; Li, S; Cui, J Discovery of heterocycle-containing ?-naphthoflavone derivatives as water-soluble, highly potent and selective CYP1B1 inhibitors. Eur J Med Chem209:0 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 1B1 |
|---|
| 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
|
|
|
|---|
| BDBM50562254 |
|---|
| n/a |
|---|
| Name | BDBM50562254 |
|---|
| Synonyms: | CHEMBL4749123 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C21H16FNO5 |
|---|
| Mol. Mass. | 381.3538 |
|---|
| SMILES | COc1ccc(OC)c2c1c(OC)cc1c2oc(cc1=O)-c1ccc(F)cn1 |
|---|
| Structure | 
|
|---|
Search and Browse
