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BDBM21201 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1-methylpiperidin-4-yl)acetamide::Pyrimidin-4-ylacetamide, 4

SMILES: CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1

InChI Key: InChIKey=BKVXJUVJYOXVBD-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 = 21201   
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))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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Article
PubMed
5.40 -11.2n/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))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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Article
PubMed
103n/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 receptor A1


(Homo sapiens (human))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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PubMed
1.02E+3n/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))
BDBM21201
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-15(2)28(26-14)20-13-19(24-22(25-20)18-6-5-16(3)30-18)23-21(29)12-17-7-9-27(4)10-8-17/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,23,24,25,29)
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Article
PubMed
n/an/a 4.17E+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