BindingDB logo
myBDB logout

null

SMILES: CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key: InChIKey=PBVZMDAZEJRZSC-RJNFYWFKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50421984   
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 A2a/A2b


(Homo sapiens (Human))
BDBM50421984
PNG
(CHEMBL607599)
Show SMILES CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
Show InChI InChI=1S/C14H21N7O4/c1-6(2)3-17-20-14-18-11(15)8-12(19-14)21(5-16-8)13-10(24)9(23)7(4-22)25-13/h5-7,9-10,13,22-24H,3-4H2,1-2H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 7.40n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
In vitro effect on coronary vasodilation in guinea pig heart.


J Med Chem 35: 4557-61 (1993)


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


(GUINEA PIG)
BDBM50421984
PNG
(CHEMBL607599)
Show SMILES CC(C)CN=Nc1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r,w:4.3|
Show InChI InChI=1S/C14H21N7O4/c1-6(2)3-17-20-14-18-11(15)8-12(19-14)21(5-16-8)13-10(24)9(23)7(4-22)25-13/h5-7,9-10,13,22-24H,3-4H2,1-2H3,(H2,15,18,19)/t7-,9-,10-,13?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 1.26E+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