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6 similar compounds to monomer 50317013

Compile data set for download or QSAR
Wt: 258.2
BDBM19180
Wt: 273.2
BDBM50161342
Wt: 274.2
BDBM50317012
Wt: 378.3
BDBM50394717
Wt: 398.8
BDBM50394718
Wt: 364.3
BDBM50394722

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 19180,50161342,50317012,50394717,50394718,50394722   
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))
BDBM50394718
PNG
(CHEMBL2165801)
Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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 A2


(Homo sapiens (Human))
BDBM50394722
PNG
(CHEMBL2165807)
Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50394717
PNG
(CHEMBL2165802)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1
Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)
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0.5n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A2a assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50394718
PNG
(CHEMBL2165801)
Show SMILES Nc1nc2-c3cc(Cc4cnccc4Cl)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H15ClN4O/c24-18-8-9-26-12-15(18)10-13-6-7-16-17(11-13)21-19(22(16)29)20(27-23(25)28-21)14-4-2-1-3-5-14/h1-9,11-12H,10H2,(H2,25,27,28)
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0.5n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50161342
PNG
(2-Amino-4-phenyl-indeno[1,2-d]pyrimidin-5-one | 2-...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C17H11N3O/c18-17-19-14(10-6-2-1-3-7-10)13-15(20-17)11-8-4-5-9-12(11)16(13)21/h1-9H,(H2,18,19,20)
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50394717
PNG
(CHEMBL2165802)
Show SMILES Nc1nc2-c3cc(ccc3C(=O)c2c(n1)-c1ccccc1)C(=O)c1cccnc1
Show InChI InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)
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1.80n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50394722
PNG
(CHEMBL2165807)
Show SMILES Nc1nc2-c3cc(Cc4cccnc4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)
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2.40n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human Adenosine receptor A1 assessed as inhibition of cAMP production


J Med Chem 55: 1402-17 (2012)


Article DOI: 10.1021/jm201640m
BindingDB Entry DOI: 10.7270/Q2CZ388Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50317012
PNG
(2-amino-4-(pyridin-4-yl)-5H-indeno[1,2-d]pyrimidin...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccncc1
Show InChI InChI=1S/C16H10N4O/c17-16-19-13(9-5-7-18-8-6-9)12-14(20-16)10-3-1-2-4-11(10)15(12)21/h1-8H,(H2,17,19,20)
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4.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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))
BDBM50317012
PNG
(2-amino-4-(pyridin-4-yl)-5H-indeno[1,2-d]pyrimidin...)
Show SMILES Nc1nc2-c3ccccc3C(=O)c2c(n1)-c1ccncc1
Show InChI InChI=1S/C16H10N4O/c17-16-19-13(9-5-7-18-8-6-9)12-14(20-16)10-3-1-2-4-11(10)15(12)21/h1-8H,(H2,17,19,20)
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16.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM19180
PNG
(4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2ncnc(c12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)15(18-10-19-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Bari



Assay Description
A continuous spectrophotometric assay that monitors the rate of oxidation of the nonselective MAO substrate kynuramine into 4-hydroxyquinoline was us...


J Med Chem 50: 5364-71 (2007)


Article DOI: 10.1021/jm070728r
BindingDB Entry DOI: 10.7270/Q2JD4V2G
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM19180
PNG
(4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2ncnc(c12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)15(18-10-19-16)11-6-2-1-3-7-11/h1-10H
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n/an/a 2.16E+4n/an/an/an/a7.437



University of Bari



Assay Description
A continuous spectrophotometric assay that monitors the rate of oxidation of the nonselective MAO substrate kynuramine into 4-hydroxyquinoline was us...


J Med Chem 50: 5364-71 (2007)


Article DOI: 10.1021/jm070728r
BindingDB Entry DOI: 10.7270/Q2JD4V2G
More data for this
Ligand-Target Pair