BindingDB logo
myBDB logout

BDBM50453508 CHEMBL2113585

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(C4CCCC4)c4ccccc34)ncnc12

InChI Key: InChIKey=AKQVBXCHXXKSGD-NLJXWPIHSA-N

Data: 1 KI

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 1 hit for monomerid = 50453508   
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))
BDBM50453508
PNG
(CHEMBL2113585)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1C(=O)NC1CC1)n1cnc2c(NCCc3cn(C4CCCC4)c4ccccc34)ncnc12
Show InChI InChI=1S/C28H33N7O4/c36-22-23(37)28(39-24(22)27(38)33-17-9-10-17)35-15-32-21-25(30-14-31-26(21)35)29-12-11-16-13-34(18-5-1-2-6-18)20-8-4-3-7-19(16)20/h3-4,7-8,13-15,17-18,22-24,28,36-37H,1-2,5-6,9-12H2,(H,33,38)(H,29,30,31)/t22-,23+,24-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Carpibem

Curated by ChEMBL


Assay Description
Binding affinity for adenosine A1 receptor in vitro using rat brain membranes.


J Med Chem 37: 4307-16 (1995)


Article DOI: 10.1021/jm00051a007
BindingDB Entry DOI: 10.7270/Q2J38T68
More data for this
Ligand-Target Pair