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BDBM50367374 CHEMBL606285

SMILES: CCCCN(C)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12

InChI Key: InChIKey=MIOLKOUZZKUQES-VHXYOLGMNA-N

Data: 1 IC50  1 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 = 50367374   
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


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50367374
PNG
(CHEMBL606285)
Show SMILES CCCCN(C)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12
Show InChI InChI=1/C20H32N6O4/c1-5-8-9-25(4)19(29)16-14(27)15(28)20(30-16)26-11-23-13-17(21-10-22-18(13)26)24-12(6-2)7-3/h10-12,14-16,20,27-28H,5-9H2,1-4H3,(H,21,22,24)/t14-,15+,16-,20?/s2
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activation


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367374
PNG
(CHEMBL606285)
Show SMILES CCCCN(C)C(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC(CC)CC)ncnc12
Show InChI InChI=1/C20H32N6O4/c1-5-8-9-25(4)19(29)16-14(27)15(28)20(30-16)26-11-23-13-17(21-10-22-18(13)26)24-12(6-2)7-3/h10-12,14-16,20,27-28H,5-9H2,1-4H3,(H,21,22,24)/t14-,15+,16-,20?/s2
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency against rat brain adenosine A1 receptor at 10 uM


J Med Chem 29: 1683-9 (1986)


Article DOI: 10.1021/jm00159a020
BindingDB Entry DOI: 10.7270/Q2Z89D0F
More data for this
Ligand-Target Pair