Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM50421814
Substrate
n/a
Meas. Tech.
ChEMBL_2270293
Ki
11800±n/a nM
Citation
 Singla, P; Salunke, DB Recent advances in steroid amino acid conjugates: Old scaffolds with new dimensions. Eur J Med Chem 187:0 (2020) [PubMed] 
Target
Name:
Sodium/bile acid cotransporter
Synonyms:
Bile acid transporter | NTCP | NTCP_HUMAN | SLC10A1
Type:
PROTEIN
Mol. Mass.:
38131.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_838517
Residue:
349
Sequence:
MEAHNASAPFNFTLPPNFGKRPTDLALSVILVFMLFFIMLSLGCTMEFSKIKAHLWKPKGLAIALVAQYGIMPLTAFVLGKVFRLKNIEALAILVCGCSPGGNLSNVFSLAMKGDMNLSIVMTTCSTFCALGMMPLLLYIYSRGIYDGDLKDKVPYKGIVISLVLVLIPCTIGIVLKSKRPQYMRYVIKGGMIIILLCSVAVTVLSAINVGKSIMFAMTPLLIATSSLMPFIGFLLGYVLSALFCLNGRCRRTVSMETGCQNVQLCSTILNVAFPPEVIGPLFFFPLLYMIFQLGEGLLLIAIFWCYEKFKTPKDKTKMIYTAATTEETIPGALGNGTYKGEDCSPCTA
  
Inhibitor
Name:
BDBM50421814
Synonyms:
CHEMBL5287717
Type:
Small organic molecule
Emp. Form.:
C32H46N2O6
Mol. Mass.:
554.7174
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)c1cccnc1)[C@H](C)CCC(=O)NCC(O)=O |r|
Structure:
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