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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Bile salt export pump | ||
| Ligand | BDBM50237590 | ||
| 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: |
| ||
| BDBM50237590 | |||
| n/a | |||
| Name | BDBM50237590 | ||
| Synonyms: | Amaryl | CHEBI:5383 | Glimepiride | HOE-490 | Niddaryl | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H34N4O5S | ||
| Mol. Mass. | 490.616 | ||
| SMILES | CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O |r,wU:28.29,wD:25.25,c:2,(13.34,-1.91,;12.43,-.67,;10.9,-.83,;10.13,-2.16,;10.76,-3.57,;8.62,-1.84,;8.46,-.31,;7.13,.46,;7.13,2,;5.79,-.31,;4.46,.46,;3.13,-.31,;1.79,.46,;.46,-.31,;-.87,.46,;-.87,2,;.46,2.77,;1.79,2,;-2.21,2.77,;-2.98,1.43,;-1.44,4.1,;-3.54,3.54,;-4.87,2.77,;-4.87,1.23,;-6.21,3.54,;-7.54,2.77,;-8.88,3.54,;-10.21,2.77,;-10.21,1.23,;-11.54,.46,;-8.88,.46,;-7.54,1.23,;9.87,.32,;10.19,1.82,)| | ||
| Structure | 
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