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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 = 'BDBM50267578'   
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))
BDBM50267578
PNG
(2-Chloro-N6-(+/-)-endo-norbornyl-9H-(beta-D-ribofu...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:14:15:19.18:21|
Show InChI InChI=1S/C17H22ClN5O4/c18-17-21-14(20-9-4-7-1-2-8(9)3-7)11-15(22-17)23(6-19-11)16-13(26)12(25)10(5-24)27-16/h6-10,12-13,16,24-26H,1-5H2,(H,20,21,22)/t7?,8?,9?,10-,12-,13-,16-/m1/s1
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PC cid
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Article
PubMed
0.710n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells


J Med Chem 52: 2393-406 (2009)


Article DOI: 10.1021/jm801456g
BindingDB Entry DOI: 10.7270/Q2C8296Z
More data for this
Ligand-Target Pair