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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine A2 receptor' and Ligand = 'BDBM50421890'   
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 A2 receptor


(Homo sapiens (Human))
BDBM50421890
PNG
(CHEMBL2311197)
Show SMILES Nc1nc(OCCc2ccc(Cl)cc2)nc2n(cnc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 0.389n/an/an/an/a



University of South Florida

Curated by ChEMBL




J Med Chem 34: 1340-4 (1991)


BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair