BDBM50390978 VALSPODAR

SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C

InChI Key InChIKey=YJDYDFNKCBANTM-QCWCSKBGSA-N

Data  4 KI  5 IC50  2 EC50

  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 5 hits for monomerid = 50390978   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Novartis Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50390978(VALSPODAR)
Affinity DataIC50:  501nMAssay Description:Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Novartis Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50390978(VALSPODAR)
Affinity DataIC50:  22nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Novartis Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50390978(VALSPODAR)
Affinity DataIC50:  291nMAssay Description:TP_TRANSPORTER: inhibition of Doxorubicin transepithelial transport (basal to apical) (Doxorubicin: 0.8 uM) in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Novartis Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50390978(VALSPODAR)
Affinity DataIC50:  110nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Novartis Takarazuka Research Institute

Curated by ChEMBL
LigandPNGBDBM50390978(VALSPODAR)
Affinity DataIC50:  1.06E+3nMAssay Description:TP_TRANSPORTER: inhibition of Vinblastine transepithelial transport (basal to apical) (Vinblastine: 0.1 uM) in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed