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BDBM50341607 1-benzyl-3-(4-oxo-3-phenyl-3,4-dihydrophthalazin-1-yl)urea::CHEMBL1766359

SMILES: O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12

InChI Key: InChIKey=AYERKGWULZQYMW-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50341607   
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))
BDBM50341607
PNG
(1-benzyl-3-(4-oxo-3-phenyl-3,4-dihydrophthalazin-1...)
Show SMILES O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H18N4O2/c27-21-19-14-8-7-13-18(19)20(25-26(21)17-11-5-2-6-12-17)24-22(28)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,23,24,25,28)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29.6n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50341607
PNG
(1-benzyl-3-(4-oxo-3-phenyl-3,4-dihydrophthalazin-1...)
Show SMILES O=C(NCc1ccccc1)Nc1nn(-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H18N4O2/c27-21-19-14-8-7-13-18(19)20(25-26(21)17-11-5-2-6-12-17)24-22(28)23-15-16-9-3-1-4-10-16/h1-14H,15H2,(H2,23,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15n/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP accumulation after 15 mi...


J Med Chem 54: 2102-13 (2011)


Article DOI: 10.1021/jm101328n
BindingDB Entry DOI: 10.7270/Q2P84C7S
More data for this
Ligand-Target Pair