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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile salt export pump | ||
| Ligand | BDBM50188311 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1667662 (CHEMBL4017550) | ||
| IC50 | <10000±n/a nM | ||
| Citation |  Warner, DJ; Chen, H; Cantin, LD; Kenna, JG; Stahl, S; Walker, CL; Noeske, T Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. Drug Metab Dispos40:2332-41 (2012) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Bile salt export pump | |||
| Name: | Bile salt export pump | ||
| Synonyms: | ABCB11 | ABCBB_HUMAN | ATP-binding cassette sub-family B member 11 | BSEP | Bile Salt Export Pump, BSEP | Bile salt export pump | Bile salt export pump (BSEP) | ||
| Type: | Protein | ||
| Mol. Mass.: | 146405.49 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | O95342 | ||
| Residue: | 1321 | ||
| Sequence: |
| ||
| BDBM50188311 | |||
| n/a | |||
| Name | BDBM50188311 | ||
| Synonyms: | 2-(3-(8-chloroquinolin-4-yl)-2,5-dimethyl-1H-indol-1-yl)acetic acid | CHEMBL378730 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H17ClN2O2 | ||
| Mol. Mass. | 364.825 | ||
| SMILES | Cc1c(-c2ccnc3c(Cl)cccc23)c2cc(C)ccc2n1CC(O)=O |(10.93,-.53,;9.39,-.54,;8.49,-1.8,;8.97,-3.27,;10.47,-3.56,;10.96,-5.02,;9.94,-6.18,;8.43,-5.87,;7.42,-7.01,;7.91,-8.47,;5.92,-6.71,;5.43,-5.25,;6.45,-4.1,;7.95,-4.41,;7.01,-1.33,;5.67,-2.1,;4.34,-1.33,;3,-2.1,;4.34,.22,;5.67,.99,;7,.22,;8.48,.71,;8.95,2.17,;10.46,2.5,;11.5,1.36,;10.93,3.97,)| | ||
| Structure | 
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