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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 = 'BDBM50369976'   
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))
BDBM50369976
PNG
(CHEMBL608753)
Show SMILES Nc1nc(CO)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H15N5O5/c12-9-6-10(15-5(2-18)14-9)16(3-13-6)11-8(20)7(19)4(1-17)21-11/h3-4,7-8,11,17-20H,1-2H2,(H2,12,14,15)/t4-,7-,8-,11?/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
10.1n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat brain cortex


J Med Chem 44: 531-9 (2001)


BindingDB Entry DOI: 10.7270/Q20Z740K
More data for this
Ligand-Target Pair