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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A1' and Ligand = 'BDBM50067096'   
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))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.20E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane


J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair