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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 = 'BDBM50199460'   
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))		BDBM50199460
PNG
(CHEMBL3914843)
Show SMILES [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@@H](C3CC3)C3CCC3)nc(Cl)nc12 |r|
Show InChI InChI=1S/C20H26ClN5O3/c21-19-24-17(23-12(10-4-5-10)9-2-1-3-9)13-18(25-19)26(8-22-13)14-11-6-20(11,7-27)16(29)15(14)28/h8-12,14-16,27-29H,1-7H2,(H,23,24,25)/t11-,12-,14-,15+,16+,20+/m1/s1
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Similars
Article
PubMed
 298n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]N6-phenylisopropyladenosine from recombinant human A1AR expressed in CHO cell membranes after 60 mins by liquid scintillation cou...

J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair