BDBM50254350 3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-ylmethyl)-N-isopropyl-N-methylbenzamide::CHEMBL460805

SMILES CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1

InChI Key InChIKey=AMKCCWCEGZXQCR-UHFFFAOYSA-N

Data  4 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50254350   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Vernalis R&D Ltd

Curated by ChEMBL
LigandPNGBDBM50254350(3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]py...)
Show SMILES CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Show InChI InChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
Affinity DataKi:  22nMAssay Description:Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation countingMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Vernalis R&D Ltd

Curated by ChEMBL
LigandPNGBDBM50254350(3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]py...)
Show SMILES CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Show InChI InChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
Affinity DataKi:  937nMAssay Description:Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation countingMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Vernalis R&D Ltd

Curated by ChEMBL
LigandPNGBDBM50254350(3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]py...)
Show SMILES CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Show InChI InChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
Affinity DataKi:  1.13E+3nMAssay Description:Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation countingMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Vernalis R&D Ltd

Curated by ChEMBL
LigandPNGBDBM50254350(3-(5-Amino-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]py...)
Show SMILES CC(C)N(C)C(=O)c1cccc(Cn2nnc3c(nc(N)nc23)-c2ccco2)c1
Show InChI InChI=1S/C20H21N7O2/c1-12(2)26(3)19(28)14-7-4-6-13(10-14)11-27-18-17(24-25-27)16(22-20(21)23-18)15-8-5-9-29-15/h4-10,12H,11H2,1-3H3,(H2,21,22,23)
Affinity DataKi:  2.47E+3nMAssay Description:Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation countingMore data for this Ligand-Target Pair