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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine A1 receptor' and Ligand = 'BDBM50176833'   
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 A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in absence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50176833
PNG
(CHEMBL224545 | methyl 4-(4-methoxyphenethylamino)-...)
Show SMILES COC(=O)c1cnc2n(CC(Cl)c3ccccc3)ncc2c1NCCc1ccc(OC)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-19-10-8-17(9-11-19)12-13-27-23-20-15-29-30(16-22(26)18-6-4-3-5-7-18)24(20)28-14-21(23)25(31)33-2/h3-11,14-15,22H,12-13,16H2,1-2H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes in presence of GTP


J Med Chem 48: 7172-85 (2005)


Article DOI: 10.1021/jm050407k
BindingDB Entry DOI: 10.7270/Q2N0163Q
More data for this
Ligand-Target Pair