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BDBM21211 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-3-(dimethylamino)propanamide::Pyrimidin-4-ylacetamide, 26

SMILES: CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C

InChI Key: InChIKey=AACWUFIIMOHGSO-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 21211   
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 A2


(Homo sapiens (Human))
BDBM21211
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
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Article
PubMed
2.10 -11.7n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM21211
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
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Article
PubMed
n/an/a 650n/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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM21211
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
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Article
PubMed
210n/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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM21211
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
Show InChI InChI=1S/C19H24N6O2/c1-12-10-13(2)25(23-12)17-11-16(20-18(26)8-9-24(4)5)21-19(22-17)15-7-6-14(3)27-15/h6-7,10-11H,8-9H2,1-5H3,(H,20,21,22,26)
PDB
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Reactome pathway
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UniChem

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Article
PubMed
43n/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