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BDBM50421980 CHEMBL2113592

SMILES: CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=ZTVSTYGPZYYXLB-IDTAVKCVSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50421980   
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 A2 receptor


(Homo sapiens (Human))
BDBM50421980
PNG
(CHEMBL2113592)
Show SMILES CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
Show InChI InChI=1S/C15H23N7O4/c1-7(2)3-4-18-21-15-19-12(16)9-13(20-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,19,20)/t8-,10-,11-,14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 0.468n/an/an/an/a



University of South Florida

Curated by ChEMBL




J Med Chem 35: 4557-61 (1993)


BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50421980
PNG
(CHEMBL2113592)
Show SMILES CC(C)CCN=Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:5.4|
Show InChI InChI=1S/C15H23N7O4/c1-7(2)3-4-18-21-15-19-12(16)9-13(20-15)22(6-17-9)14-11(25)10(24)8(5-23)26-14/h6-8,10-11,14,23-25H,3-5H2,1-2H3,(H2,16,19,20)/t8-,10-,11-,14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.09E+4n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro prolonging of the stimulus-QRS interval in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


BindingDB Entry DOI: 10.7270/Q21Z43BT
More data for this
Ligand-Target Pair