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BDBM50406508 CHEMBL605465

SMILES: COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC

InChI Key: InChIKey=MWGCPRBVVATXOT-AOTTWXCTSA-N

Data: 2 EC50

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 = 50406508   
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))
BDBM50406508
PNG
(CHEMBL605465)
Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC |r|
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 4.90n/an/an/an/a



University of South Florida

Curated by ChEMBL




J Med Chem 34: 1340-4 (1991)


BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50406508
PNG
(CHEMBL605465)
Show SMILES COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC |r|
Show InChI InChI=1S/C20H25N5O7/c1-29-11-4-3-10(7-12(11)30-2)5-6-31-20-23-17(21)14-18(24-20)25(9-22-14)19-16(28)15(27)13(8-26)32-19/h3-4,7,9,13,15-16,19,26-28H,5-6,8H2,1-2H3,(H2,21,23,24)/t13-,15-,16-,19?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 4.27E+4n/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Effective concentration required for prolongation of the stimulus-QRS interval by 50% of the maximum response at the Adenosine A1 receptor in langend...


J Med Chem 34: 1340-4 (1991)


BindingDB Entry DOI: 10.7270/Q24T6KJM
More data for this
Ligand-Target Pair