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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 = 'BDBM50368454'   
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))
BDBM50368454
PNG
(CHEMBL610099)
Show SMILES CC(=O)N(c1ccc(CC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1)c1ncnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C30H34N8O7/c1-17(40)38(29-25-28(33-15-34-29)37(16-35-25)30-27(44)26(43)22(14-39)45-30)21-8-4-19(5-9-21)13-24(42)36-20-6-2-18(3-7-20)12-23(41)32-11-10-31/h2-9,15-16,22,26-27,30,39,43-44H,10-14,31H2,1H3,(H,32,41)(H,36,42)/t22-,26-,27-,30?/m1/s1
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Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor


J Med Chem 35: 4143-9 (1992)


Article DOI: 10.1021/jm00100a020
BindingDB Entry DOI: 10.7270/Q2XG9RSN
More data for this
Ligand-Target Pair