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BDBM50396931 CHEMBL2170793

SMILES: O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)c3ccccc3)nc(Cl)nc12

InChI Key: InChIKey=NSOKXABWNKYUGW-WYUVPUJMNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50396931   
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))
BDBM50396931
PNG
(CHEMBL2170793)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1/C21H22ClN5O2/c22-21-25-19(24-14(11-6-7-11)10-4-2-1-3-5-10)15-20(26-21)27(9-23-15)16-12-8-13(12)17(28)18(16)29/h1-5,9,11-14,16-18,28-29H,6-8H2,(H,24,25,26)/t12-,13+,14-,16+,17+,18-/s2
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
790n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 min Packard Cobra 2 gamma-counter


J Med Chem 55: 8075-90 (2012)


Article DOI: 10.1021/jm300965a
BindingDB Entry DOI: 10.7270/Q22V2H8D
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50396931
PNG
(CHEMBL2170793)
Show SMILES O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(N[C@H](C3CC3)c3ccccc3)nc(Cl)nc12
Show InChI InChI=1/C21H22ClN5O2/c22-21-25-19(24-14(11-6-7-11)10-4-2-1-3-5-10)15-20(26-21)27(9-23-15)16-12-8-13(12)17(28)18(16)29/h1-5,9,11-14,16-18,28-29H,6-8H2,(H,24,25,26)/t12-,13+,14-,16+,17+,18-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer


J Med Chem 55: 8075-90 (2012)


Article DOI: 10.1021/jm300965a
BindingDB Entry DOI: 10.7270/Q22V2H8D
More data for this
Ligand-Target Pair