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BDBM50151175 2-Furan-2-yl-5-[4-(5-methyl-isoxazol-3-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine::CHEMBL175927

SMILES: Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1

InChI Key: InChIKey=GOXFNNNMSCOUBS-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50151175   
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 Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151175
PNG
(2-Furan-2-yl-5-[4-(5-methyl-isoxazol-3-ylmethyl)-p...)
Show SMILES Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
Show InChI InChI=1S/C17H19N9O2/c1-11-9-12(23-28-11)10-24-4-6-25(7-5-24)16-20-15(18)26-17(21-16)19-14(22-26)13-3-2-8-27-13/h2-3,8-9H,4-7,10H2,1H3,(H2,18,19,20,21,22)
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PC cid
PC sid
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Article
PubMed
180n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ZM-241,385 binidng to rat brain adenosine A2a receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50151175
PNG
(2-Furan-2-yl-5-[4-(5-methyl-isoxazol-3-ylmethyl)-p...)
Show SMILES Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
Show InChI InChI=1S/C17H19N9O2/c1-11-9-12(23-28-11)10-24-4-6-25(7-5-24)16-20-15(18)26-17(21-16)19-14(22-26)13-3-2-8-27-13/h2-3,8-9H,4-7,10H2,1H3,(H2,18,19,20,21,22)
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PubMed
180n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue


J Med Chem 48: 2009-18 (2005)


Article DOI: 10.1021/jm0498396
BindingDB Entry DOI: 10.7270/Q2NZ88FB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50151175
PNG
(2-Furan-2-yl-5-[4-(5-methyl-isoxazol-3-ylmethyl)-p...)
Show SMILES Cc1cc(CN2CCN(CC2)c2nc(N)n3nc(nc3n2)-c2ccco2)no1
Show InChI InChI=1S/C17H19N9O2/c1-11-9-12(23-28-11)10-24-4-6-25(7-5-24)16-20-15(18)26-17(21-16)19-14(22-26)13-3-2-8-27-13/h2-3,8-9H,4-7,10H2,1H3,(H2,18,19,20,21,22)
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>500n/an/an/an/an/an/an/an/a



Biogen Idec, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to rat cerebral cortex adenosine A1 receptor


J Med Chem 47: 4291-9 (2004)


Article DOI: 10.1021/jm0498405
BindingDB Entry DOI: 10.7270/Q2805235
More data for this
Ligand-Target Pair