Reaction Details Report a problem with these data
Target
Solute carrier organic anion transporter family member 1B1
Ligand
BDBM50012957
Substrate
n/a
Meas. Tech.
ChEMBL_1487742 (CHEMBL3533736)
IC50
21000±n/a nM
Citation
 Soars, MG; Barton, P; Ismair, M; Jupp, R; Riley, RJ The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery. Drug Metab Dispos 40:1641-8 (2012) [PubMed]  Article 
Target
Name:
Solute carrier organic anion transporter family member 1B1
Synonyms:
LST1 | OATP1B1 | OATP2 | OATPC | SLC21A6 | SLCO1B1 | SO1B1_HUMAN | Solute carrier organic anion transporter family member 1B1 | Solute carrier organic anion transporter family member 1B1 (OATP1B1) | Thromboxane B2
Type:
Protein
Mol. Mass.:
76468.06
Organism:
Homo sapiens (Human)
Description:
Q9Y6L6
Residue:
691
Sequence:
MDQNQHLNKTAEAQPSENKKTRYCNGLKMFLAALSLSFIAKTLGAIIMKSSIIHIERRFEISSSLVGFIDGSFEIGNLLVIVFVSYFGSKLHRPKLIGIGCFIMGIGGVLTALPHFFMGYYRYSKETNINSSENSTSTLSTCLINQILSLNRASPEIVGKGCLKESGSYMWIYVFMGNMLRGIGETPIVPLGLSYIDDFAKEGHSSLYLGILNAIAMIGPIIGFTLGSLFSKMYVDIGYVDLSTIRITPTDSRWVGAWWLNFLVSGLFSIISSIPFFFLPQTPNKPQKERKASLSLHVLETNDEKDQTANLTNQGKNITKNVTGFFQSFKSILTNPLYVMFVLLTLLQVSSYIGAFTYVFKYVEQQYGQPSSKANILLGVITIPIFASGMFLGGYIIKKFKLNTVGIAKFSCFTAVMSLSFYLLYFFILCENKSVAGLTMTYDGNNPVTSHRDVPLSYCNSDCNCDESQWEPVCGNNGITYISPCLAGCKSSSGNKKPIVFYNCSCLEVTGLQNRNYSAHLGECPRDDACTRKFYFFVAIQVLNLFFSALGGTSHVMLIVKIVQPELKSLALGFHSMVIRALGGILAPIYFGALIDTTCIKWSTNNCGTRGSCRTYNSTSFSRVYLGLSSMLRVSSLVLYIILIYAMKKKYQEKDINASENGSVMDEANLESLNKNKHFVPSAGADSETHC
  
Inhibitor
Name:
BDBM50012957
Synonyms:
1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea | 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea | 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide | 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide | CHEMBL472 | GLYBURIDE | Glibenclamide | US20230348371, Compound 5
Type:
Small organic molecule
Emp. Form.:
C23H28ClN3O5S
Mol. Mass.:
494.004
SMILES:
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: