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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50453656'   
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 A3


(Rattus norvegicus)		BDBM50453656
PNG
(CHEMBL2113695)
Show SMILES [H][C@@]12CO[Si](O[Si](O[C@@]1([H])[C@@H](O)[C@@H](O2)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12)(C(C)C)C(C)C)(C(C)C)C(C)C |r|
Show InChI InChI=1S/C29H43ClIN5O5Si2/c1-16(2)42(17(3)4)38-14-22-25(40-43(41-42,18(5)6)19(7)8)24(37)28(39-22)36-15-33-23-26(34-29(30)35-27(23)36)32-13-20-10-9-11-21(31)12-20/h9-12,15-19,22,24-25,28,37H,13-14H2,1-8H3,(H,32,34,35)/t22-,24-,25-,28-/m1/s1
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PC cid
PC sid
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Similars
PubMed
 1.31E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A3 receptor from rat brain.

J Med Chem 38: 1720-35 (1995)


BindingDB Entry DOI: 10.7270/Q21Z453H
More data for this
Ligand-Target Pair