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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50240854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50240854
PNG
(CHEMBL4102809)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)(C)C)c(=O)c21
Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-26-20(27)18-19(23-17-12-16(29-4)10-11-24(17)18)25(21(26)28)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50240854
PNG
(CHEMBL4102809)
Show SMILES COc1ccn2c(c1)nc1n(Cc3ccccc3)c(=O)n(CC(C)(C)C)c(=O)c21
Show InChI InChI=1S/C22H24N4O3/c1-22(2,3)14-26-20(27)18-19(23-17-12-16(29-4)10-11-24(17)18)25(21(26)28)13-15-8-6-5-7-9-15/h5-12H,13-14H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry


J Med Chem 60: 7555-7568 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00950
BindingDB Entry DOI: 10.7270/Q2ST7S06
More data for this
Ligand-Target Pair