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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 = 'BDBM50393880'   
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))
BDBM50393880
PNG
(CHEMBL2158245)
Show SMILES COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C16H13NO3S/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13-14(8-12)16(19)17-15(13)18/h2-8H,9H2,1H3,(H,17,18,19)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
369n/an/an/an/an/an/an/an/a



North-West University



Assay Description
For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...


Bioorg Chem 59: 117-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q22J69KC
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50393880
PNG
(CHEMBL2158245)
Show SMILES COc1ccc(CSc2ccc3C(=O)NC(=O)c3c2)cc1
Show InChI InChI=1S/C16H13NO3S/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13-14(8-12)16(19)17-15(13)18/h2-8H,9H2,1H3,(H,17,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.73E+3n/an/an/an/an/an/an/an/a



North-West University



Assay Description
For the A2a receptor binding study, the incubation contained 10 mg of the original tissue weight of the striatal membranes, 4 nM [3H]NECA, 50 nM CPA,...


Bioorg Chem 59: 117-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q22J69KC
More data for this
Ligand-Target Pair