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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 = 'BDBM50047212'   
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))
BDBM50047212
PNG
(8-(7-Methoxy-benzofuran-2-yl)-1,3-dimethyl-3,7-dih...)
Show SMILES COc1cccc2cc(oc12)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C16H14N4O4/c1-19-14-11(15(21)20(2)16(19)22)17-13(18-14)10-7-8-5-4-6-9(23-3)12(8)24-10/h4-7H,1-3H3,(H,17,18)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
1.77E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand


J Med Chem 36: 1333-42 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7FPB
More data for this
Ligand-Target Pair