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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A2a' and Ligand = 'BDBM82529'   
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 A2a


(Rattus norvegicus (rat))
BDBM82529
PNG
(N6-Benzyladenosine-N1-oxide)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26|
Show InChI InChI=1S/C17H21N5O5/c23-7-11-13(24)14(25)17(27-11)21-8-19-12-15(21)20-9-22(26)16(12)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,16-18,23-26H,6-7H2/t11-,13-,14-,16?,17-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
8.53E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive and Kidney Diseases

Curated by PDSP Ki Database




Mol Pharmacol 45: 1101-11 (1994)


BindingDB Entry DOI: 10.7270/Q26Q1VR9
More data for this
Ligand-Target Pair