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.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50062551   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 20 mins with substrate prior to initiation of reaction ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 20 mins with substrate prior to initiation of reactio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50:  3.30E+4nMAssay Description:Metabolism-dependent inhibition of CYP3A4 in human liver microsomes using atorvastatin as substrate preincubated for 20 mins with NADPH prior to init...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50:  6.50E+4nMAssay Description:Metabolism-dependent inhibition of CYP3A4 in human liver microsomes using nifedipine as substrate preincubated for 20 mins with NADPH prior to initia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank