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BDBM50088472 1-Phenyl-3-quinazolin-4-yl-urea::1-phenyl-3-(quinazolin-4-yl)urea::CHEMBL309974

SMILES: O=C(Nc1ccccc1)Nc1ncnc2ccccc12

InChI Key: InChIKey=IYKBZJSFOBYNTL-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088472   
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))
BDBM50088472
PNG
(1-Phenyl-3-quinazolin-4-yl-urea | 1-phenyl-3-(quin...)
Show SMILES O=C(Nc1ccccc1)Nc1ncnc2ccccc12
Show InChI InChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3n/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))
BDBM50088472
PNG
(1-Phenyl-3-quinazolin-4-yl-urea | 1-phenyl-3-(quin...)
Show SMILES O=C(Nc1ccccc1)Nc1ncnc2ccccc12
Show InChI InChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.18E+6n/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)


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