BDBM50305083 3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester::3-((3S,6S,12aS)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)-propionic acid tert-butyl ester::CHEMBL488910::Ko-143::Ko143::US9695174, Ko143

SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O

InChI Key InChIKey=NXNRAECHCJZNRF-JBACZVJFSA-N

Data  55 IC50  15 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 50305083   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  1.75E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50: >3.00E+4nMpH: 7.4 T: 2°CAssay Description:To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C8(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50: >3.00E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  6.00E+3nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2C19(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  1.47E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50: >3.00E+5nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4/3A5(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50: >3.00E+4nMpH: 7.4 T: 2°CAssay Description:Human liver microsomes (HLMs) (0.3 mg/mL in 0.1-M potassium phosphate buffer, pH 7.4) are incubated with CYP (cytochromes P450) isozyme-selective sub...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  29nMAssay Description:Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux after 30 mins by flow cytometry relati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  12nMAssay Description:Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  230nMAssay Description:Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 stainingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  390nMAssay Description:Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 stainingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  90nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by FACS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  128nMAssay Description:Inhibition of GFP-tagged human BCRP expressed in MDCK2 cells pre-incubated for 30 mins followed by Hoechst 33342 addition and further incubated for 1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  24nMAssay Description:Modulation of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  240nMAssay Description:Inhibition of human C-terminal GFP-tagged ABCG2 expressed in MDCK2 cells using pheophorbide A as substrate preincubated for 20 mins followed by subst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  74nMAssay Description:Inhibition of BCRP expressed in MDCK cells by pheophorbide A assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  210nMAssay Description:Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 stainingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  330nMAssay Description:Inhibition of BCRP in human MCF7/MX cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by FluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  260nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  250nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells preincubated for 30 mins prior to Hoechst 33342 addition measured every 60 secs up to 120 mins by H...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  354nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of pheophorbide-A preincubated for 30 mins before pheophorbide-A addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  215nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Hoechst 33342 preincubated for 30 mins before Hoechst 33342 addition me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  74nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in HEK293 cells assessed as reduction in mitoxantrone efflux after 30 mins by flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  330nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as pheophorbide A accumulation treated 30 mins before pheophorbide A addition measured up ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  250nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation treated 30 mins before Hoechst 33342 addition measured up to...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  5nMAssay Description:TP_TRANSPORTER: efflux of Hoechst33342 in BCRP-expressing Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  117nMAssay Description:Inhibition of ABCG2 in human MCF7/Topo cells after 2 hrs by Hoechst 33342 microplate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  225nMAssay Description:Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  309nMAssay Description:Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  50nMAssay Description:Inhibition of ABCG2-mediated mitoxantrone efflux in HEK293 cells by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of MRP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  221nMAssay Description:Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  276nMAssay Description:Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in pheophorbide A efflux preincubated for 30 mins foll...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  227nMAssay Description:Inhibition of recombinant human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  227nMAssay Description:Inhibition of human ABCG2 expressed in MDCK2 cells assessed as increase in accumulation of Hoechst 33342 preincubated for 30 mins followed by Hoechst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  227nMAssay Description:Inhibition of c-terminal GFP-tagged human ABCG2 expressed in MDCK2 cells preincubated for 30 mins before Hoechst 33342 addition by Hoechst 33342 accu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  84nMAssay Description:Inhibition of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  227nMAssay Description:Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as reduction in Hoechst 33342 efflux preincubated for 30 mins followed by Hoech...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  221nMAssay Description:Inhibition of C-terminal GFP-fused human ABCG2 expressed in MDCK2 cells preincubated for 30 mins followed by Hoechst 33342 addition and measured ever...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  233nMAssay Description:Inhibition of human ABCG2 expressed in MDCK2 cells assessed as increase in accumulation of Hoechst 33342 preincubated for 30 mins followed by Hoechst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  1.95E+3nMAssay Description:Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 assessed as reversal of doxorubicin resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  943nMAssay Description:Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by MT...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataIC50:  24nMAssay Description:Inhibition of BCRP (unknown origin) transfected in human HEK293/R2 cells assessed as potentiation of topotecan-induced cytotoxicity measured as topot...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  1.80E+3nMAssay Description:Inhibition of MRP1 (unknown origin) expressed in human 2008/MRP1 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  10nMAssay Description:Inhibition of BCRP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  8.70nMAssay Description:Inhibition of BCRP (unknown origin) transfected in HEK293/R2 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  9nMAssay Description:Inhibition of BCRP in human MCF7/MX100 cells assessed as reversal of topotecan resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Millennium Pharmaceuticals

US Patent
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  1.06E+3nMAssay Description:Inhibition of P-gp (unknown origin) expressed in human LCC6MDR cells assessed as reversal of paclitaxel resistance after 5 days by MTS/PMS assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL
LigandPNGBDBM50305083(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Affinity DataEC50:  5.40nMAssay Description:Inhibition of BCRP (unknown origin) expressed in human HEK293/R2 cells assessed as potentiation of mitoxantrone-induced cytotoxicity after 5 days by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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