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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 = 'BDBM50022724'   
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


(Rattus norvegicus (rat))
BDBM50022724
PNG
(3,5-Dimethyl-1,7-dipropyl-1,7-dihydro-benzo[1,2-c;...)
Show SMILES CCCn1nc(C)c2cc3c(C)nn(CCC)c3cc12
Show InChI InChI=1S/C16H22N4/c1-5-7-19-15-10-16-14(9-13(15)11(3)17-19)12(4)18-20(16)8-6-2/h9-10H,5-8H2,1-4H3
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity to Adenosine A1 receptor of rat cerebral cortical membranes using 1 nM [3H]-PIA


J Med Chem 31: 2034-9 (1988)


BindingDB Entry DOI: 10.7270/Q2988614
More data for this
Ligand-Target Pair