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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 = 'BDBM50199723'   
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))		BDBM50199723
PNG
(CHEMBL3984510)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C41H40Cl2N8O4/c1-2-51-40(54)36(47-41(55)48-37-33(42)22-44-23-34(37)43)21-35(49-51)27-10-6-9-26(17-27)28-18-29(38(52)45-31-11-12-31)20-30(19-28)39(53)46-32-13-15-50(16-14-32)24-25-7-4-3-5-8-25/h3-10,17-23,31-32H,2,11-16,24H2,1H3,(H,45,52)(H,46,53)(H2,44,47,48,55)
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor (unknown origin)

J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair