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Target
Sodium/bile acid cotransporter
Ligand
BDBM50157080
Substrate
n/a
Meas. Tech.
ChEMBL_306878 (CHEMBL828684)
IC50
3400±n/a nM
Citation
 Bhat, L; Jandeleit, B; Dias, TM; Moors, TL; Gallop, MA Synthesis and biological evaluation of novel steroidal pyrazoles as substrates for bile acid transporters. Bioorg Med Chem Lett 15:85-7 (2004) [PubMed]  Article 
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:
BDBM50157080
Synonyms:
2-[(4R)-4-[(2S,12R,18R)-12-hydroxy-6-[(3-{[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy}phenyl)methyl]-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-yl]pentanamido]acetic acid | CHEMBL362668
Type:
Small organic molecule
Emp. Form.:
C48H59N3O7
Mol. Mass.:
789.998
SMILES:
COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc1cccc(Cn2cc3C[C@@]4(C)C(C[C@@H](O)C5C6CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]6(C)CCC45)Cc3n2)c1
Structure:
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