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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 = 'BDBM50517303'   
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))		BDBM50517303
PNG
(CHEMBL4543137)
Show SMILES [H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N)nc(Cl)nc12 |r|
Show InChI InChI=1S/C12H13Cl2N5O2/c13-2-12-1-4(12)6(7(20)8(12)21)19-3-16-5-9(15)17-11(14)18-10(5)19/h3-4,6-8,20-21H,1-2H2,(H2,15,17,18)/t4-,6-,7+,8+,12+/m1/s1
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PC cid
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Article
PubMed
 7.60n/an/an/an/an/an/an/an/a



Medical College of Wisconsin

Curated by ChEMBL


Assay Description
Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...

J Med Chem 62: 1502-1522 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01662
BindingDB Entry DOI: 10.7270/Q2TM7FGK
More data for this
Ligand-Target Pair