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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Broad substrate specificity ATP-binding cassette transporter ABCG2 | ||
| Ligand | BDBM32628 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1617829 (CHEMBL3859898) | ||
| IC50 | 960±n/a nM | ||
| Citation |  Schmitt, F; Draut, H; Biersack, B; Schobert, R Halogenated naphthochalcones and structurally related naphthopyrazolines with antitumor activity. Bioorg Med Chem Lett26:5168-5171 (2016) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | |||
| Name: | Broad substrate specificity ATP-binding cassette transporter ABCG2 | ||
| Synonyms: | ABCG2 | ABCG2_HUMAN | ABCP | ATP-Binding Cassette Transporter ABCG2 | ATP-binding cassette sub-family G member 2 | ATP-binding cassette transporter (ABCG2) | ATP-binding cassette, sub-family G, member 2 | BCRP | BCRP1 | Breast cancer resistance protein | CDw338 | MXR | Mitoxantrone resistance-associated protein | Placenta-specific ATP-binding cassette transporter | Urate exporter | ||
| Type: | Multi-pass membrane protein; monomer or homodimer; disulfide-linked | ||
| Mol. Mass.: | 72329.48 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q9UNQ0 | ||
| Residue: | 655 | ||
| Sequence: |
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| BDBM32628 | |||
| n/a | |||
| Name | BDBM32628 | ||
| Synonyms: | FTC | Fumitremorgin C | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H25N3O3 | ||
| Mol. Mass. | 379.4522 | ||
| SMILES | [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| | ||
| Structure | 
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