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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 = 'BDBM50421986'   
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))
BDBM50421986
PNG
(CHEMBL610443)
Show SMILES Nc1nc(N=NCC2=CC3CCC2C3)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r,w:5.5,t:7,TLB:6:7:13:11.10|
Show InChI InChI=1S/C18H23N7O4/c19-15-12-16(25(7-20-12)17-14(28)13(27)11(6-26)29-17)23-18(22-15)24-21-5-10-4-8-1-2-9(10)3-8/h4,7-9,11,13-14,17,26-28H,1-3,5-6H2,(H2,19,22,23)/t8?,9?,11-,13-,14-,17?/m1/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 3.30n/an/an/an/a



University of South Florida

Curated by ChEMBL




J Med Chem 35: 4557-61 (1993)


BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair