BDBM50145605 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one::CHEMBL853::DDC::DDCYD::Dideoxycytidine::ZALCITABINE

SMILES Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1

InChI Key InChIKey=WREGKURFCTUGRC-POYBYMJQSA-N

Data  3 KI  4 IC50  1 Kd  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 10 hits for monomerid = 50145605   

TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Biota

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataKi:  51nMAssay Description:Inhibitory constant against HIV-1 reverse transcriptaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDeoxycytidine kinase(Homo sapiens (Human))
Michigan Cancer Foundation

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataKi:  3.60E+5nMAssay Description:Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDeoxycytidine kinase(Homo sapiens (Human))
Michigan Cancer Foundation

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataKi:  1.00E+6nMAssay Description:Inhibitory affect against rabbit deoxycytidine kinase and represented as molt/4F kinase in two references.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Kyoto University

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataEC50:  88nMAssay Description:Effective concentration for 50% protection of HIV-induced cytopathogenicity in MT-4 cells on the MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Mercer University

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataKd:  4.40E+4nMAssay Description:Binding affinity to human serum albumin with excitation at 280 nm after 2 hrs by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Biota

Curated by ChEMBL
LigandPNGBDBM50145605(4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofura...)
Affinity DataEC50:  31nMAssay Description:Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank