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Target
Bile salt export pump
Ligand
BDBM50005548
Substrate
n/a
Meas. Tech.
ChEMBL_1481882 (CHEMBL3540573)
IC50
>1000000±n/a nM
Citation
 Dawson, S; Stahl, S; Paul, N; Barber, J; Kenna, JG In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans. Drug Metab Dispos 40:130-8 (2011) [PubMed]  Article
Target
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:
MSDSVILRSIKKFGEENDGFESDKSYNNDKKSRLQDEKKGDGVRVGFFQLFRFSSSTDIWLMFVGSLCAFLHGIAQPGVLLIFGTMTDVFIDYDVELQELQIPGKACVNNTIVWTNSSLNQNMTNGTRCGLLNIESEMIKFASYYAGIAVAVLITGYIQICFWVIAAARQIQKMRKFYFRRIMRMEIGWFDCNSVGELNTRFSDDINKINDAIADQMALFIQRMTSTICGFLLGFFRGWKLTLVIISVSPLIGIGAATIGLSVSKFTDYELKAYAKAGVVADEVISSMRTVAAFGGEKREVERYEKNLVFAQRWGIRKGIVMGFFTGFVWCLIFLCYALAFWYGSTLVLDEGEYTPGTLVQIFLSVIVGALNLGNASPCLEAFATGRAAATSIFETIDRKPIIDCMSEDGYKLDRIKGEIEFHNVTFHYPSRPEVKILNDLNMVIKPGEMTALVGPSGAGKSTALQLIQRFYDPCEGMVTVDGHDIRSLNIQWLRDQIGIVEQEPVLFSTTIAENIRYGREDATMEDIVQAAKEANAYNFIMDLPQQFDTLVGEGGGQMSGGQKQRVAIARALIRNPKILLLDMATSALDNESEAMVQEVLSKIQHGHTIISVAHRLSTVRAADTIIGFEHGTAVERGTHEELLERKGVYFTLVTLQSQGNQALNEEDIKDATEDDMLARTFSRGSYQDSLRASIRQRSKSQLSYLVHEPPLAVVDHKSTYEEDRKDKDIPVQEEVEPAPVRRILKFSAPEWPYMLVGSVGAAVNGTVTPLYAFLFSQILGTFSIPDKEEQRSQINGVCLLFVAMGCVSLFTQFLQGYAFAKSGELLTKRLRKFGFRAMLGQDIAWFDDLRNSPGALTTRLATDASQVQGAAGSQIGMIVNSFTNVTVAMIIAFSFSWKLSLVILCFFPFLALSGATQTRMLTGFASRDKQALEMVGQITNEALSNIRTVAGIGKERRFIEALETELEKPFKTAIQKANIYGFCFAFAQCIMFIANSASYRYGGYLISNEGLHFSYVFRVISAVVLSATALGRAFSYTPSYAKAKISAARFFQLLDRQPPISVYNTAGEKWDNFQGKIDFVDCKFTYPSRPDSQVLNGLSVSISPGQTLAFVGSSGCGKSTSIQLLERFYDPDQGKVMIDGHDSKKVNVQFLRSNIGIVSQEPVLFACSIMDNIKYGDNTKEIPMERVIAAAKQAQLHDFVMSLPEKYETNVGSQGSQLSRGEKQRIAIARAIVRDPKILLLDEATSALDTESEKTVQVALDKAREGRTCIVIAHRLSTIQNADIIAVMAQGVVIEKGTHEELMAQKGAYYKLVTTGSPIS
  
Inhibitor
Name:
BDBM50005548
Synonyms:
(+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | (+/-)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | (-)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | (Nomifensine) 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine | 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine (Nomifensine) | 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine(Nomifensine) | 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine | CHEMBL273575 | NOMIFENSINE | NOMIFENSINE2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine
Type:
Small organic molecule
Emp. Form.:
C16H18N2
Mol. Mass.:
238.3275
SMILES:
CN1CC(c2ccccc2)c2cccc(N)c2C1
Structure:
Search PDB for entries with ligand similarity: