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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 = 'BDBM50179182'   
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))
BDBM50179182
PNG
((2R,3R,4S,5R)-2-(6-(bicyclo[2.2.1]heptan-7-ylamino...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3C4CCC3CC4)ncnc12
Show InChI InChI=1S/C17H23N5O4/c23-5-10-13(24)14(25)17(26-10)22-7-20-12-15(18-6-19-16(12)22)21-11-8-1-2-9(11)4-3-8/h6-11,13-14,17,23-25H,1-5H2,(H,18,19,21)/t8?,9?,10-,11?,13-,14-,17-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.480n/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]R-PIA or [3H]CGS 21680 from human adenosine A1 receptor in CHO cells


J Med Chem 48: 8103-7 (2005)


Article DOI: 10.1021/jm050726b
BindingDB Entry DOI: 10.7270/Q2CZ36QQ
More data for this
Ligand-Target Pair