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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50367681'   
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


(Rattus norvegicus (rat))
BDBM50367681
PNG
(CHEMBL606016)
Show SMILES CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
7.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor


J Med Chem 31: 1179-83 (1988)


BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367681
PNG
(CHEMBL606016)
Show SMILES CC(Cc1ccccc1)Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H24N4O4/c1-12(9-13-5-3-2-4-6-13)23-14-7-8-21-19-16(14)22-11-24(19)20-18(27)17(26)15(10-25)28-20/h2-8,11-12,15,17-18,20,25-27H,9-10H2,1H3,(H,21,23)/t12?,15-,17-,18-,20?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 630n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor


J Med Chem 31: 1179-83 (1988)


BindingDB Entry DOI: 10.7270/Q2QC042G
More data for this
Ligand-Target Pair