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BDBM50003705 CHEMBL3234959

SMILES: Nc1nc(SCc2csc(n2)-c2ccccc2F)nc(-c2ccc3OCOc3c2)c1C#N

InChI Key: InChIKey=NTIBITIOFNVHHY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50003705   
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))
BDBM50003705
PNG
(CHEMBL3234959)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccccc2F)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H14FN5O2S2/c23-16-4-2-1-3-14(16)21-26-13(9-31-21)10-32-22-27-19(15(8-24)20(25)28-22)12-5-6-17-18(7-12)30-11-29-17/h1-7,9H,10-11H2,(H2,25,27,28)
PDB

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Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair