BDBM50170823 CHEMBL366216::N*6*-Cyclohexyl-N*2*-(4-dimethylamino-phenyl)-9H-purine-2,6-diamine

SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1

InChI Key InChIKey=ADHPIOBOQMGIPQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50170823   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50170823(CHEMBL366216 | N*6*-Cyclohexyl-N*2*-(4-dimethylami...)
Show SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)
Affinity DataKi:  70nMAssay Description:Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50170823(CHEMBL366216 | N*6*-Cyclohexyl-N*2*-(4-dimethylami...)
Show SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)
Affinity DataKi:  3.90E+3nMAssay Description:Percent inhibition of [3H]-DPCPX binding to human adenosine A1 receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50170823(CHEMBL366216 | N*6*-Cyclohexyl-N*2*-(4-dimethylami...)
Show SMILES CN(C)c1ccc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
Show InChI InChI=1S/C19H25N7/c1-26(2)15-10-8-14(9-11-15)23-19-24-17-16(20-12-21-17)18(25-19)22-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H3,20,21,22,23,24,25)
Affinity DataKi:  6.10E+3nMAssay Description:Percent inhibition of [3H]ZM241,385 binding to human adenosine A2a receptor expressed in CHO cells at 10 uMMore data for this Ligand-Target Pair