BDBM50062551 CHEBI:76010::Dolutegravir::GSK1349572::S-349572

SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2

InChI Key InChIKey=RHWKPHLQXYSBKR-BMIGLBTASA-N

Data  8 KI  37 IC50  5 EC50

PDB links: 16 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50062551   

TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human MRP2 expressed in baculovirus-infected Sf9 cell membrane vesicle using [3H]estradiol 17beta-D-glucuronide as substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >9.00E+4nMAssay Description:Inhibition of human MRP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed