Reaction Details Report a problem with these data
Target
Sodium/bile acid cotransporter
Ligand
BDBM50157075
Substrate
n/a
Meas. Tech.
ChEMBL_306878 (CHEMBL828684)
IC50
220±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:
BDBM50157075
Synonyms:
2-[(4R)-4-[(2S,18R)-6-{2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyloxy]ethyl}-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 | CHEMBL182697
Type:
Small organic molecule
Emp. Form.:
C41H58N4O7
Mol. Mass.:
718.9218
SMILES:
COc1cc2CCN(Cc2cc1OC)C(=O)OCCn1cc2C[C@@]3(C)C(CCC4C5CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]5(C)CCC34)Cc2n1
Structure:
Search PDB for entries with ligand similarity: