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BDBM50454490 CHEMBL2113443

SMILES: CNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ARVGZMRDUMAGBG-SDBHATRESA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50454490   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454490
PNG
(CHEMBL2113443)
Show SMILES CNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N6O4/c1-17-16-21-10-13(20-8-4-2-3-5-8)18-7-19-14(10)22(16)15-12(25)11(24)9(6-23)26-15/h7-9,11-12,15,23-25H,2-6H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-,12-,15-/m1/s1
PDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor from rat cortical membrane using [3H]DPCPX without GTP


J Med Chem 39: 1463-71 (1996)


Article DOI: 10.1021/jm950267m
BindingDB Entry DOI: 10.7270/Q2WH2QNT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50454490
PNG
(CHEMBL2113443)
Show SMILES CNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N6O4/c1-17-16-21-10-13(20-8-4-2-3-5-8)18-7-19-14(10)22(16)15-12(25)11(24)9(6-23)26-15/h7-9,11-12,15,23-25H,2-6H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-,12-,15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
980n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX (with GTP) from Adenosine A1 receptor of rat cortical membrane


J Med Chem 39: 1463-71 (1996)


Article DOI: 10.1021/jm950267m
BindingDB Entry DOI: 10.7270/Q2WH2QNT
More data for this
Ligand-Target Pair