Compile Data Set for Download or QSAR
maximum 50k data
Found 28 Enz. Inhib. hit(s) with all data for entry = 50045904
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of human OCT2 expressed in MDCK2 cells using [14C]metformin as substrate by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as basolateral to apical transport of [14C]cimetidine after 90 mins by liquid s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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:  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:  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

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50:  6.70E+4nMAssay Description:Inhibition of human BCRPMore 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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >9.00E+4nMAssay Description:Inhibition of human MDR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 20 mins with substrate prior to initiation of reaction w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 20 mins with substrate prior to initiation of react...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins with substrate prior to initiation of reaction ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using rosiglitazone as substrate preincubated for 20 mins with substrate prior to initiation of reacti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins with substrate prior to initiation of reaction w...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins with substrate prior to initiation of reaction wi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins with substrate prior to initiation of reaction ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of MDR1 (unknown origin) expressed in MDCK2 cells assessed as basolateral to apical transport of [3H]digoxin after 90 mins by liquid scint...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: >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
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human OATP1B1 expressed in CHO cells using [3H]estradiol 17beta-D-glucuronide as substrate by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human OATP1B3 expressed in BacMam baculovirus virus infected HEK MSR2 cells using [3H]estradiol 17beta-D-glucuronide as substrate by li...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 20 mins with NADPH prior to initia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 20 mins with NADPH prior to initiati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 20 mins with NADPH prior to initiat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP2C8 in human liver microsomes using rosiglitazone as substrate preincubated for 20 mins with NADPH prior to ini...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 20 mins with NADPH prior to initia...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 20 mins with NADPH prior to in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Metabolism-dependent inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 20 mins with NADPH prior to initiat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50062551(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in supersomes assessed as scopoletin glucuronidation by fluorescence analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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