BDBM50275949 (4R,13S,19R,28R)-7,9,22,24-tetrabromo-14,14,29,29-tetramethyl-11,15,27,30-tetraoxaheptacyclo[16.12.0.0^{3,16}.0^{4,13}.0^{5,10}.0^{19,28}.0^{20,25}]triaconta-1(18),3(16),5(10),6,8,20(25),21,23-octaene-2,17-dione::CHEMBL450130

SMILES CC1(C)OC2=C([C@@H]3[C@H]1COc1c(Br)cc(Br)cc31)C(=O)C1=C([C@@H]3[C@@H](OCc4c(Br)cc(Br)cc34)C(C)(C)O1)C2=O

InChI Key InChIKey=IJWMZDYBFAUURF-CWHPDUKHSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50275949   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Instituto Universitario De Bio-OrgáNica Antonio GonzáLez

Curated by ChEMBL
LigandPNGBDBM50275949((4R,13S,19R,28R)-7,9,22,24-tetrabromo-14,14,29,29-...)
Affinity DataKi:  1.01E+3nMAssay Description:Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed