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BDBM21196 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-{4-[(dimethylamino)methyl]piperidin-1-yl}acetamide::Pyrimidin-4-ylacetamide, 22

SMILES: CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1

InChI Key: InChIKey=IRGVKZAWAFXJJG-UHFFFAOYSA-N

Data: 3 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 21196   
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 receptor A2a


(Homo sapiens (human))
BDBM21196
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C24H33N7O2/c1-16-12-17(2)31(28-16)22-13-21(26-24(27-22)20-7-6-18(3)33-20)25-23(32)15-30-10-8-19(9-11-30)14-29(4)5/h6-7,12-13,19H,8-11,14-15H2,1-5H3,(H,25,26,27,32)
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Article
PubMed
2.90 -11.5n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21196
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C24H33N7O2/c1-16-12-17(2)31(28-16)22-13-21(26-24(27-22)20-7-6-18(3)33-20)25-23(32)15-30-10-8-19(9-11-30)14-29(4)5/h6-7,12-13,19H,8-11,14-15H2,1-5H3,(H,25,26,27,32)
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PubMed
25 -10.3n/an/an/an/an/a7.422



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM21196
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C24H33N7O2/c1-16-12-17(2)31(28-16)22-13-21(26-24(27-22)20-7-6-18(3)33-20)25-23(32)15-30-10-8-19(9-11-30)14-29(4)5/h6-7,12-13,19H,8-11,14-15H2,1-5H3,(H,25,26,27,32)
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380n/an/an/an/an/an/an/an/a



Neuroscience



Assay Description
The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM21196
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C24H33N7O2/c1-16-12-17(2)31(28-16)22-13-21(26-24(27-22)20-7-6-18(3)33-20)25-23(32)15-30-10-8-19(9-11-30)14-29(4)5/h6-7,12-13,19H,8-11,14-15H2,1-5H3,(H,25,26,27,32)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Neuroscience



Assay Description
A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK...


J Med Chem 51: 1730-9 (2008)


Article DOI: 10.1021/jm701187w
BindingDB Entry DOI: 10.7270/Q2RF5S9C
More data for this
Ligand-Target Pair