BindingDB logo
myBDB logout

BDBM50199972 2-[1-(3-chlorobenzyl)-1,2,3-triazol-4-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL216392

SMILES: CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1

InChI Key: InChIKey=DJQKAKFNNBFTLQ-GWEOJYBUNA-N

Data: 2 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 2 hits for monomerid = 50199972   
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 A3


(Homo sapiens (Human))
BDBM50199972
PNG
(2-[1-(3-chlorobenzyl)-1,2,3-triazol-4-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1
Show InChI InChI=1/C20H21ClN8O4/c1-22-18-14-19(29(9-23-14)20-16(32)15(31)13(8-30)33-20)25-17(24-18)12-7-28(27-26-12)6-10-3-2-4-11(21)5-10/h2-5,7,9,13,15-16,20,30-32H,6,8H2,1H3,(H,22,24,25)/t13-,15-,16-,20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
81.1n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199972
PNG
(2-[1-(3-chlorobenzyl)-1,2,3-triazol-4-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cn(Cc2cccc(Cl)c2)nn1
Show InChI InChI=1/C20H21ClN8O4/c1-22-18-14-19(29(9-23-14)20-16(32)15(31)13(8-30)33-20)25-17(24-18)12-7-28(27-26-12)6-10-3-2-4-11(21)5-10/h2-5,7,9,13,15-16,20,30-32H,6,8H2,1H3,(H,22,24,25)/t13-,15-,16-,20-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
956n/an/an/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells


J Med Chem 49: 7373-83 (2006)


Article DOI: 10.1021/jm0608208
BindingDB Entry DOI: 10.7270/Q2K64HRJ
More data for this
Ligand-Target Pair