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BDBM85707 CAS_82410-32-0::DHPG::NSC_3454

SMILES: Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1

InChI Key: InChIKey=IRSCQMHQWWYFCW-UHFFFAOYSA-N

Data: 3 KI  1 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 85707   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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PubMed
900n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)


BindingDB Entry DOI: 10.7270/Q2J67FGZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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KEGG

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3.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Neurochem 75: 2590-601 (2000)


BindingDB Entry DOI: 10.7270/Q2J67FGZ
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 453-60 (2001)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q2V986M2
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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Article
PubMed
n/an/an/a 1.58E+4n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Thymidine kinase


(Macacine herpesvirus 1)
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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Article
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n/an/a 8.00E+5n/an/an/an/an/an/a



GLSynthesis Inc.

Curated by ChEMBL


Assay Description
Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation


Antimicrob Agents Chemother 51: 2028-34 (2007)


Article DOI: 10.1128/AAC.01284-06
BindingDB Entry DOI: 10.7270/Q2RN38R9
More data for this
Ligand-Target Pair