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BDBM50086140 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one::4-Cyclohexylamino-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one::CHEMBL274267

SMILES: O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1

InChI Key: InChIKey=JGLOHIDMAGTNKS-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50086140   
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 A1 receptor


(BOVINE)
BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
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PC sid
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Similars

Article
PubMed
1.43n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor of bovine brain membrane in presence of [3H]-CHA at a concentration of 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
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Article
PubMed
506n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human adenosine A3 receptor expressed in HEK-293 cells in presence of [125I]-AB-MECA at a concentration of 1 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50086140
PNG
(4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a...)
Show SMILES O=c1n(nc2c(NC3CCCCC3)nc3ccccc3n12)-c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
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UniChem

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Article
PubMed
1.37E+3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards Adenosine A2A receptor of bovine striatal membrane using [3H]-CGS- at 20 uM


J Med Chem 43: 1158-64 (2000)


Article DOI: 10.1021/jm991096e
BindingDB Entry DOI: 10.7270/Q2QR4WBG
More data for this
Ligand-Target Pair