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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' AND taxid = 9913   
Target
(Institution)
LigandTarget
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 A3


(Bos taurus)
BDBM50133368
PNG
(CHEMBL335950 | N-(2-(furan-2-yl)-8-(3-phenylpropyl...)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C31H25N7O2/c39-27(19-23-14-6-13-22-12-4-5-15-24(22)23)32-31-34-28-25(30-33-29(36-38(30)31)26-16-8-18-40-26)20-37(35-28)17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18,20H,7,11,17,19H2,(H,32,34,35,39)
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PC sid
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Article
PubMed
300n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Bos taurus)
BDBM50102282
PNG
(3,10-Diphenyl-10H-benzo[4,5]imidazo[2,1-c][1,2,4]t...)
Show SMILES O=c1c(nnc2n(-c3ccccc3)c3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H14N4O/c26-20-19(15-9-3-1-4-10-15)22-23-21-24(16-11-5-2-6-12-16)17-13-7-8-14-18(17)25(20)21/h1-14H
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PC sid
UniChem

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AffyNet 
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Bos taurus)
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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Purchase

CHEMBL
PC cid
PC sid
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Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Binding affinity to bovine adenosine A3 receptor


Citation and Details
More data for this
Ligand-Target Pair