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1 similar compounds to monomer 50088469

Compile data set for download or QSAR
Wt: 333.3
BDBM50088473

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088473   
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))
BDBM50088473
PNG
(1-Phenyl-3-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ure...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)N1CCCC1
Show InChI InChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells


J Med Chem 49: 4085-97 (2006)


Article DOI: 10.1021/jm051112+
BindingDB Entry DOI: 10.7270/Q2KK9BC7
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50088473
PNG
(1-Phenyl-3-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ure...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)N1CCCC1
Show InChI InChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.23E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells


J Med Chem 43: 2227-38 (2000)


Article DOI: 10.1021/jm000002u
BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair