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BDBM21207 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide::Pyrimidin-4-ylacetamide, 17

SMILES: CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1

InChI Key: InChIKey=KMMAIJQUGOQJIO-KRWDZBQOSA-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 = 21207   
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))
BDBM21207
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m0/s1
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Article
PubMed
2.5 -11.6n/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))
BDBM21207
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m0/s1
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Article
PubMed
37n/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))
BDBM21207
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m0/s1
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Article
PubMed
370n/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))
BDBM21207
PNG
(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Show SMILES CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1
Show InChI InChI=1S/C22H29N7O2/c1-5-23-17-8-9-28(12-17)13-21(30)24-19-11-20(29-15(3)10-14(2)27-29)26-22(25-19)18-7-6-16(4)31-18/h6-7,10-11,17,23H,5,8-9,12-13H2,1-4H3,(H,24,25,26,30)/t17-/m0/s1
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Article
PubMed
n/an/a 420n/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