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BDBM50424715 AZACITIDINE::Adenosine receptor agonist, 12::Ladakamycin::U-18496::Vidaza

SMILES: Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=NMUSYJAQQFHJEW-KVTDHHQDSA-N

Data: 2 KI  1 IC50

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50424715   
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
Adenosine receptor A1


(Homo sapiens (human))
BDBM50424715
PNG
(AZACITIDINE | Adenosine receptor agonist, 12 | Lad...)
Show SMILES Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
PDB

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KEGG

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KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.01E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...


ACS Chem Biol 11: 2763-2772 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50424715
PNG
(AZACITIDINE | Adenosine receptor agonist, 12 | Lad...)
Show SMILES Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
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KEGG
PC cid
PC sid
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Article
PubMed
3.68E+3n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...


ACS Chem Biol 11: 2763-2772 (2016)

More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens)
BDBM50424715
PNG
(AZACITIDINE | Adenosine receptor agonist, 12 | Lad...)
Show SMILES Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
Show InChI InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
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KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)

More data for this
Ligand-Target Pair