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BDBM50199987 2-(4-cyclohexylmethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine::CHEMBL376249

SMILES: CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1

InChI Key: InChIKey=AWIAIAVIESJHNP-NVQRDWNXSA-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 = 50199987   
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))
BDBM50199987
PNG
(2-(4-cyclohexylmethyl-1,2,3-triazol-1-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1 |r|
Show InChI InChI=1S/C20H28N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h8,10-11,13,15-16,19,29-31H,2-7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21.3n/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))
BDBM50199987
PNG
(2-(4-cyclohexylmethyl-1,2,3-triazol-1-yl)-N6-methy...)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCCC2)nn1 |r|
Show InChI InChI=1S/C20H28N8O4/c1-21-17-14-18(27(10-22-14)19-16(31)15(30)13(9-29)32-19)24-20(23-17)28-8-12(25-26-28)7-11-5-3-2-4-6-11/h8,10-11,13,15-16,19,29-31H,2-7,9H2,1H3,(H,21,23,24)/t13-,15-,16-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.43E+3n/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