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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM50088462'   
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))
BDBM50088462
PNG
(1-Phenyl-3-(2-pyridin-3-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/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))
BDBM50088462
PNG
(1-Phenyl-3-(2-pyridin-3-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.09E+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