BDBM23617 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol::4-nitrobenzylmercaptopurine ribonucleoside::CHEMBL418509::NBMPR::NBTI::Nitrobenzylthioinosine

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12

InChI Key InChIKey=DYCJFJRCWPVDHY-LSCFUAHRSA-N

Data  9 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 23617   

TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.430nM ΔG°:  -12.6kcal/mole IC50:  7.60nMpH: 7.4 T: 2°CAssay Description:The compounds were tested to determine their ENT1 nucleoside transporter binding ability by a flow cytometric assay using human leukemia K562 cells i...More data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to human ENT1 assessed as [3H]uridine uptake by flow cytometryMore data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.700nMAssay Description:Displacement of 5-(SAENTA)-X8-fluorescein from K562 cell nucleoside transporterMore data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity of compound towards Nucleoside transporter es-type by facile competitive binding flow cytometric assay using the human K562 chronic ...More data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.700nMAssay Description:Displacement of 5-(SAENTA)-X8-fluorescein from human ENT1 transporter in human K562 cellsMore data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.700nMAssay Description:Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometryMore data for this Ligand-Target Pair
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  0.708nMAssay Description:Inhibition of human ENT1More data for this Ligand-Target Pair
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSolute carrier family 28 member 3(Homo sapiens (Human))
University Of Tennessee Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataKi:  8.81E+4nMAssay Description:Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Science Center

LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataIC50:  8.51nMAssay Description:Binding affinity to ENT1 transporterMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
The Netherlands Cancer Institute

Curated by ChEMBL
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataIC50:  7.50E+4nMAssay Description:TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP4-expressing HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEquilibrative nucleoside transporter 1(Rattus norvegicus)
Universit£

Curated by ChEMBL
LigandPNGBDBM23617((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophe...)
Affinity DataIC50:  0.300nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed