Reaction Details Report a problem with these data
Target
Solute carrier organic anion transporter family member 1B1
Ligand
BDBM50180850
Substrate
n/a
Meas. Tech.
ChEMBL_1584903 (CHEMBL3819823)
IC50
2500±n/a nM
Citation
 Davies, TG; Wixted, WE; Coyle, JE; Griffiths-Jones, C; Hearn, K; McMenamin, R; Norton, D; Rich, SJ; Richardson, C; Saxty, G; Willems, HM; Woolford, AJ; Cottom, JE; Kou, JP; Yonchuk, JG; Feldser, HG; Sanchez, Y; Foley, JP; Bolognese, BJ; Logan, G; Podolin, PL; Yan, H; Callahan, JF; Heightman, TD; Kerns, JK Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J Med Chem 59:3991-4006 (2016) [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:
BDBM50180850
Synonyms:
CHEMBL3819587
Type:
Small organic molecule
Emp. Form.:
C28H30N4O6S
Mol. Mass.:
550.626
SMILES:
COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1 |r|
Structure:
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