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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50003707'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003707
PNG
(CHEMBL3234961)
Show SMILES Nc1nc(SCc2csc(n2)-c2ccc(cc2)[N+]([O-])=O)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C22H14N6O4S2/c23-8-16-19(13-3-6-17-18(7-13)32-11-31-17)26-22(27-20(16)24)34-10-14-9-33-21(25-14)12-1-4-15(5-2-12)28(29)30/h1-7,9H,10-11H2,(H2,24,26,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/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