BDBM38920 2-CHLORO-2'-DEOXYADENOSINE::CLADRIBINE::MLS000028377::SMR000058553::cid_20279

SMILES Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1

InChI Key InChIKey=PTOAARAWEBMLNO-KVQBGUIXSA-N

Data  3 KI  9 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 38920   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataKi:  7.32E+3nMAssay Description:Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataKi:  2.04E+4nMAssay Description:Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataKi:  2.07E+5nMAssay Description:Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataIC50:  454nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataIC50:  487nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
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 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
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 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
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
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataIC50:  669nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataIC50:  666nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetcGMP-dependent 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM38920(2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) using [3H]cGMP as substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed