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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50513548'   
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 A1


(Homo sapiens (Human))		BDBM50513548
PNG
(CHEMBL4440287)
Show SMILES Nc1nc(N\N=C\c2ccc(cc2)N2CCOCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H26N8O5/c22-18-15-19(29(11-23-15)20-17(32)16(31)14(10-30)34-20)26-21(25-18)27-24-9-12-1-3-13(4-2-12)28-5-7-33-8-6-28/h1-4,9,11,14,16-17,20,30-32H,5-8,10H2,(H3,22,25,26,27)/b24-9+/t14-,16-,17-,20-/m1/s1
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PC cid
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Article
PubMed
 2.5n/an/an/an/an/an/an/an/a



National Engineering Research Center for the Emergency Drug

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human cloned adenosine receptor A1 expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta counting meth...

Eur J Med Chem 179: 310-324 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.050
BindingDB Entry DOI: 10.7270/Q24B34NM
More data for this
Ligand-Target Pair