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BDBM50211685 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine::4'-(furan-2-yl)-N-(pyridin-3-yl)-4,5'-bipyrimidin-2'-amine::CHEMBL375293

SMILES: N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1

InChI Key: InChIKey=YRPIMMMBNUUYLG-UHFFFAOYSA-N

Data: 7 KI  4 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 11 hits for monomerid = 50211685   
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 A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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17n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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17n/an/an/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A2B receptor expressed in HEK293 cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human A1 receptor expressed in CHO cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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>1.00E+3n/an/an/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Displacement of [2H]NECA from human A3 receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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1.04E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells after 3 hrs by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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MMDB

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>2.50E+3n/an/an/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human A2A receptor expressed in HeLa cells


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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2.82E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Bioorg Med Chem Lett 20: 1697-700 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.045
BindingDB Entry DOI: 10.7270/Q2QV3MNV
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 640n/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced IL6 production in Swiss mouse fibroblasts after 24 hrs by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 349n/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Activity at mouse A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 340n/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Inhibition of NECA-induced IL6 production in human fibroblast after 24 hrs by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50211685
PNG
(4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-am...)
Show SMILES N(c1cccnc1)c1ncc(-c2ccncn2)c(n1)-c1ccco1
Show InChI InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
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n/an/a 321n/an/an/an/an/an/a



Almirall, S.A.

Curated by ChEMBL


Assay Description
Activity at human A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced intracellular cAMP levels by ELISA


J Med Chem 50: 2732-6 (2007)

Checked by Author
Article DOI: 10.1021/jm061333v
BindingDB Entry DOI: 10.7270/Q2862G32
More data for this
Ligand-Target Pair