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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile salt export pump | ||
| Ligand | BDBM50188301 | ||
| 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: |
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| BDBM50188301 | |||
| n/a | |||
| Name | BDBM50188301 | ||
| Synonyms: | 2-(2,5-dimethyl-3-(8-methylquinolin-4-yl)-1H-indol-1-yl)acetic acid | CHEMBL209689 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H20N2O2 | ||
| Mol. Mass. | 344.4064 | ||
| SMILES | Cc1c(-c2ccnc3c(C)cccc23)c2cc(C)ccc2n1CC(O)=O |(-2.12,-2.68,;-3.66,-2.69,;-4.56,-3.95,;-4.08,-5.41,;-2.58,-5.71,;-2.09,-7.17,;-3.11,-8.33,;-4.62,-8.02,;-5.63,-9.15,;-5.14,-10.61,;-7.13,-8.85,;-7.62,-7.39,;-6.6,-6.25,;-5.1,-6.56,;-6.04,-3.48,;-7.38,-4.24,;-8.72,-3.47,;-10.05,-4.24,;-8.71,-1.93,;-7.38,-1.16,;-6.05,-1.92,;-4.57,-1.44,;-4.1,.03,;-2.6,.35,;-1.56,-.78,;-2.12,1.82,)| | ||
| Structure | 
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