BDBM50355154 CHEMBL1834695

SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1

InChI Key InChIKey=AOWMFZKPFZJQQU-UHFFFAOYSA-N

Data  4 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50355154   

TargetAdenosine receptor A3(Homo sapiens (Human))
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50355154(CHEMBL1834695)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34)
Affinity DataKi:  2.36nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50355154(CHEMBL1834695)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34)
Affinity DataKi: >1.00E+4nMAssay Description:Antagonist activity human recombinant adenosine 2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activit...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50355154(CHEMBL1834695)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
National University of Singapore

Curated by ChEMBL
LigandPNGBDBM50355154(CHEMBL1834695)
Show SMILES COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N8O2/c1-32-11-16-18(30-32)28-20(29-21(34)26-14-7-9-15(35-2)10-8-14)33-19(16)27-17(31-33)12-3-5-13(6-4-12)22(23,24)25/h3-11H,1-2H3,(H2,26,28,29,30,34)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrsMore data for this Ligand-Target Pair