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3 similar compounds to monomer 50317007

Compile data set for download or QSAR
Wt: 297.6
BDBM50317008
Wt: 350.3
BDBM50161347
Wt: 434.5
BDBM50161353

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50317008,50161347,50161353   
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))
BDBM50317008
PNG
(2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1
Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)
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PubMed
0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50317008
PNG
(2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyr...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccc(Cl)o1
Show InChI InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)
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0.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161353
PNG
(CHEMBL3785596)
Show SMILES CN1CCN(Cc2cccc(NC(=O)Nc3cccc4C(=O)N5CCCCC5c34)n2)CC1
Show InChI InChI=1/C24H30N6O2/c1-28-12-14-29(15-13-28)16-17-6-4-10-21(25-17)27-24(32)26-19-8-5-7-18-22(19)20-9-2-3-11-30(20)23(18)31/h4-8,10,20H,2-3,9,11-16H2,1H3,(H2,25,26,27,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161347
PNG
(CHEMBL3786624)
Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1/C19H18N4O3/c24-11-12-5-3-9-16(20-12)22-19(26)21-14-7-4-6-13-17(14)15-8-1-2-10-23(15)18(13)25/h3-7,9,11,15H,1-2,8,10H2,(H2,20,21,22,26)
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n/an/a 25n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50161347
PNG
(CHEMBL3786624)
Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1/C19H18N4O3/c24-11-12-5-3-9-16(20-12)22-19(26)21-14-7-4-6-13-17(14)15-8-1-2-10-23(15)18(13)25/h3-7,9,11,15H,1-2,8,10H2,(H2,20,21,22,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of GST fused human recombinant DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by scintillation counting in...


Eur J Med Chem 115: 311-25 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.072
BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair