BDBM50292495 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-(fluorosulfonyl)benzoate::CHEMBL490985

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=AQZGKOBMIMVGMG-XNIJJKJLSA-N

Data  3 KI  6 IC50

  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 4 hits for monomerid = 50292495   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50292495(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  2.10E+5nMAssay Description:Inhibition of P-gp (unknown origin) mediated ATP hydrolysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50292495(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  680nMAssay Description:Displacement of 8-azido[alpha-32P]ATP from human MDR1 expressed in baculovirus infected insect cell membranes by phosphorimaging methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50292495(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  210nMAssay Description:Inhibition of human MDR1 ATPase activity expressed in baculovirus infected insect cells preincubated for 30 mins followed by ATP addition measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50292495(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Affinity DataIC50:  170nMAssay Description:Inhibition of [125I]IAAP labeling to human MDR1 expressed in baculovirus infected insect cell membranes by electrophoresis methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed