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BDBM50158778 1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-isopropyl-urea::CHEMBL366864

SMILES: CC(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1

InChI Key: InChIKey=FSSRJGCUQHXTMR-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158778   
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))
BDBM50158778
PNG
(1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,...)
Show SMILES CC(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H24N8O2/c1-15(2)24-23(32)27-22-26-19-17(21-25-20(29-31(21)22)18-11-7-13-33-18)14-30(28-19)12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,13-15H,6,10,12H2,1-2H3,(H2,24,26,27,28,32)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Università di Padova

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor


J Med Chem 48: 152-62 (2005)


Article DOI: 10.1021/jm049662f
BindingDB Entry DOI: 10.7270/Q2183609
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50158778
PNG
(1-[2-Furan-2-yl-8-(3-phenyl-propyl)-8H-pyrazolo[4,...)
Show SMILES CC(C)NC(=O)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H24N8O2/c1-15(2)24-23(32)27-22-26-19-17(21-25-20(29-31(21)22)18-11-7-13-33-18)14-30(28-19)12-6-10-16-8-4-3-5-9-16/h3-5,7-9,11,13-15H,6,10,12H2,1-2H3,(H2,24,26,27,28,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.50E+4n/an/an/an/an/an/an/an/a



University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS)

Curated by ChEMBL


Assay Description
Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins


Bioorg Med Chem Lett 21: 818-23 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.094
BindingDB Entry DOI: 10.7270/Q2XP766Q
More data for this
Ligand-Target Pair