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PubMed code 23281824

Compile data set for download or QSAR
Found 118 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50047166
PNG
(8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3,7-trime...)
Show SMILES COc1ccc(\C=C\c2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1OC
Show InChI InChI=1S/C18H20N4O4/c1-20-14(9-7-11-6-8-12(25-4)13(10-11)26-5)19-16-15(20)17(23)22(3)18(24)21(16)2/h6-10H,1-5H3/b9-7+
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PubMed
18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50061950
PNG
(8-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-3,7-dimethyl...)
Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Show InChI InChI=1S/C19H16N4O4/c1-4-9-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)8-6-12-5-7-13-14(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3/b8-6+
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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47n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425479
PNG
(CHEMBL2313277)
Show SMILES CC(=O)c1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+
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94n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425477
PNG
((E)-8-(4-Chlorostyryl)caffeine (4a) | CHEMBL231328...)
Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+
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141n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50041581
PNG
(1,3,5-Trimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo...)
Show SMILES Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O2/c1-18-13(10-9-12-7-5-4-6-8-12)11-14-15(18)16(21)20(3)17(22)19(14)2/h4-11H,1-3H3/b10-9+
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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204n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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235n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of MAOB in human liver mitochondria


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425482
PNG
(CHEMBL2312987)
Show SMILES COc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C18H19N3O3/c1-19-13(8-5-12-6-9-14(24-4)10-7-12)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+
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247n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425484
PNG
(CHEMBL2313297)
Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50425470
PNG
(CHEMBL2312973)
Show SMILES Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)C#Cc1ccccc1
Show InChI InChI=1S/C18H14N4O2/c1-4-12-22-17(23)15-16(21(3)18(22)24)19-14(20(15)2)11-10-13-8-6-5-7-9-13/h1,5-9H,12H2,2-3H3
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Binding affinity to A2A receptor in rat brain striatal membrane by radioligand displacement assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425481
PNG
(CHEMBL2312988)
Show SMILES CCCOc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11-16)6-9-15-13-17-18(21(15)2)19(24)23(4)20(25)22(17)3/h6-11,13H,5,12H2,1-4H3/b9-6+
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307n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425487
PNG
(CHEMBL2313294)
Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+
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391n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425485
PNG
(CHEMBL2313296)
Show SMILES Cn1c(\C=C\c2ccc(F)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16FN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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423n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425509
PNG
(CHEMBL2313293)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b8-7+
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430n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425507
PNG
(CHEMBL2312991)
Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H17N3O4/c1-19-12(6-4-11-5-7-14-15(8-11)25-10-24-14)9-13-16(19)17(22)21(3)18(23)20(13)2/h4-9H,10H2,1-3H3/b6-4+
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467n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425483
PNG
(CHEMBL2313298)
Show SMILES Cn1c(\C=C\c2ccc(cc2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(9-6-11-4-7-12(8-5-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b9-6+
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531n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425506
PNG
(CHEMBL2313274)
Show SMILES Cn1c(\C=C\c2cccc(N)n2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/c1-19-11(8-7-10-5-4-6-13(17)18-10)9-12-14(19)15(22)21(3)16(23)20(12)2/h4-9H,1-3H3,(H2,17,18)/b8-7+
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887n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425488
PNG
(CHEMBL2313292)
Show SMILES Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-16-10-9-14(26-12-13-7-5-4-6-8-13)11-15(16)17-18(21)19(24)23(3)20(25)22(17)2/h4-11H,12H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425503
PNG
(CHEMBL2313278)
Show SMILES Cn1c(\C=C\c2ccc(cc2)S(C)(=O)=O)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H19N3O4S/c1-19-13(8-5-12-6-9-14(10-7-12)26(4,24)25)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425494
PNG
(CHEMBL2312982)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C16H13ClN4O3/c1-19-11(14-18-9-5-4-8(17)6-12(9)24-14)7-10-13(19)15(22)21(3)16(23)20(10)2/h4-7H,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425478
PNG
(CHEMBL2313279)
Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b9-8+
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425501
PNG
(CHEMBL2313281)
Show SMILES Cn1c(\C=C\c2cccc(O)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O3/c1-18-12(8-7-11-5-4-6-13(21)9-11)10-14-15(18)16(22)20(3)17(23)19(14)2/h4-10,21H,1-3H3/b8-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425489
PNG
(CHEMBL2313291)
Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-21-15-10-12(11-5-4-6-13(20)9-11)7-8-14(15)16-17(21)18(24)23(3)19(25)22(16)2/h4-10H,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425511
PNG
(CHEMBL2313289)
Show SMILES CN(C(=O)\C=C\c1ccccc1)c1cn(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C16H17N3O3/c1-17-11-13(15(21)19(3)16(17)22)18(2)14(20)10-9-12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425499
PNG
(CHEMBL2313283)
Show SMILES Cn1c(\C=C\c2ccccc2O)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O3/c1-18-12(9-8-11-6-4-5-7-14(11)21)10-13-15(18)16(22)20(3)17(23)19(13)2/h4-10,21H,1-3H3/b9-8+
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1.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425490
PNG
(CHEMBL2312986)
Show SMILES CCn1c2cc(OCc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H20ClN3O3/c1-4-21-14-10-15(25-11-12-6-8-13(19)9-7-12)20(3)16(14)17(23)22(5-2)18(21)24/h6-10H,4-5,11H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425500
PNG
(CHEMBL2313282)
Show SMILES Cn1c(\C=C\c2ccc(O)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O3/c1-18-12(7-4-11-5-8-13(21)9-6-11)10-14-15(18)16(22)20(3)17(23)19(14)2/h4-10,21H,1-3H3/b7-4+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425508
PNG
(CHEMBL2312990)
Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15Cl2N3O2/c1-20-11(6-4-10-5-7-12(18)13(19)8-10)9-14-15(20)16(23)22(3)17(24)21(14)2/h4-9H,1-3H3/b6-4+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425491
PNG
(CHEMBL2312985)
Show SMILES CCn1c2cc(C#Cc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H18ClN3O2/c1-4-22-16-12-15(11-8-13-6-9-14(20)10-7-13)21(3)17(16)18(24)23(5-2)19(22)25/h6-7,9-10,12H,4-5H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425492
PNG
(CHEMBL2312984)
Show SMILES CCn1c2cc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H20ClN3O2/c1-4-22-16-12-15(11-8-13-6-9-14(20)10-7-13)21(3)17(16)18(24)23(5-2)19(22)25/h6-12H,4-5H2,1-3H3/b11-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425493
PNG
(CHEMBL2312983)
Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H18ClN3O2/c1-4-22-14(10-7-12-5-8-13(19)9-6-12)11-15-16(22)17(23)21(3)18(24)20(15)2/h5-11H,4H2,1-3H3/b10-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425502
PNG
(CHEMBL2313280)
Show SMILES Cn1c(\C=C\c2ccncc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(5-4-11-6-8-17-9-7-11)10-13-14(18)15(21)20(3)16(22)19(13)2/h4-10H,1-3H3/b5-4+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425505
PNG
(CHEMBL2313275)
Show SMILES CC(=O)c1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-7-5-6-13(10-14)8-9-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b9-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425480
PNG
(CHEMBL2312989)
Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16BrN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425486
PNG
(CHEMBL2313295)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(8-7-11-5-4-6-12(9-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b8-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425472
PNG
(CHEMBL2312977)
Show SMILES Cn1c(OCc2ccc3ccccc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-16-11-17(22(2)18(16)19(24)23(3)20(21)25)26-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425473
PNG
(CHEMBL2312976)
Show SMILES Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15ClF3N3O3/c1-22-12-7-13(23(2)14(12)15(25)24(3)16(22)26)27-8-9-4-5-11(18)10(6-9)17(19,20)21/h4-7H,8H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425497
PNG
(CHEMBL2312978)
Show SMILES Cn1c(Oc2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H14ClN3O3/c1-17-11-8-12(22-10-6-4-5-9(16)7-10)18(2)13(11)14(20)19(3)15(17)21/h4-8H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425474
PNG
(CHEMBL2312975)
Show SMILES Cn1c(OCc2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16ClN3O3/c1-18-12-8-13(23-9-10-4-6-11(17)7-5-10)19(2)14(12)15(21)20(3)16(18)22/h4-8H,9H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425512
PNG
(CHEMBL2313288)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)ccc12
Show InChI InChI=1S/C16H15N3O/c1-18-13-9-11-15(20)19(2)16(13)17-14(18)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425513
PNG
(CHEMBL2313287)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2ccn(C)c(=O)c12
Show InChI InChI=1S/C16H15N3O/c1-18-11-10-13-15(16(18)20)19(2)14(17-13)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425495
PNG
(CHEMBL2312980)
Show SMILES Cn1c(NC(=O)c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O3/c1-19-11-8-12(18-14(22)9-4-6-10(17)7-5-9)20(2)13(11)15(23)21(3)16(19)24/h4-8H,1-3H3,(H,18,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425496
PNG
(CHEMBL2312979)
Show SMILES Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C21H19N3O3/c1-22-17-13-18(23(2)19(17)20(25)24(3)21(22)26)27-16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-13H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425498
PNG
(CHEMBL2312974)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#CCc1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-19-14(11-7-10-13-8-5-4-6-9-13)12-15-16(19)17(22)21(3)18(23)20(15)2/h4-6,8-9,12H,10H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425504
PNG
(CHEMBL2313276)
Show SMILES Cn1c(\C=C\c2cccc(c2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-20-14(8-7-12-5-4-6-13(9-12)11-19)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b8-7+
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425471
PNG
(CHEMBL2312981)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN6O2/c1-21-13-8-14(22(2)15(13)16(25)23(3)17(21)26)24-9-12(19-20-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425475
PNG
(CHEMBL2313286)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-5,7-8,10H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425510
PNG
(CHEMBL2313290)
Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-20-15-11-13(12-7-5-4-6-8-12)9-10-14(15)16-17(20)18(23)22(3)19(24)21(16)2/h4-11H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50425476
PNG
(CHEMBL2313285)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-6,9-10H,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425474
PNG
(CHEMBL2312975)
Show SMILES Cn1c(OCc2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16ClN3O3/c1-18-12-8-13(23-9-10-4-6-11(17)7-5-10)19(2)14(12)15(21)20(3)16(18)22/h4-8H,9H2,1-3H3
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n/an/a 48n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425475
PNG
(CHEMBL2313286)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-5,7-8,10H,1-3H3
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n/an/a 68n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425508
PNG
(CHEMBL2312990)
Show SMILES Cn1c(\C=C\c2ccc(Cl)c(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15Cl2N3O2/c1-20-11(6-4-10-5-7-12(18)13(19)8-10)9-14-15(20)16(23)22(3)17(24)21(14)2/h4-9H,1-3H3/b6-4+
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n/an/a 133n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425476
PNG
(CHEMBL2313285)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-6,9-10H,1-3H3
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n/an/a 173n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425485
PNG
(CHEMBL2313296)
Show SMILES Cn1c(\C=C\c2ccc(F)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16FN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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n/an/a 175n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425471
PNG
(CHEMBL2312981)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN6O2/c1-21-13-8-14(22(2)15(13)16(25)23(3)17(21)26)24-9-12(19-20-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3
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n/an/a 182n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425484
PNG
(CHEMBL2313297)
Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425480
PNG
(CHEMBL2312989)
Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16BrN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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n/an/a 267n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425487
PNG
(CHEMBL2313294)
Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425477
PNG
((E)-8-(4-Chlorostyryl)caffeine (4a) | CHEMBL231328...)
Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425483
PNG
(CHEMBL2313298)
Show SMILES Cn1c(\C=C\c2ccc(cc2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(9-6-11-4-7-12(8-5-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425486
PNG
(CHEMBL2313295)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(8-7-11-5-4-6-12(9-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b8-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425478
PNG
(CHEMBL2313279)
Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b9-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425473
PNG
(CHEMBL2312976)
Show SMILES Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15ClF3N3O3/c1-22-12-7-13(23(2)14(12)15(25)24(3)16(22)26)27-8-9-4-5-11(18)10(6-9)17(19,20)21/h4-7H,8H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425479
PNG
(CHEMBL2313277)
Show SMILES CC(=O)c1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50037429
PNG
(8-(3-chlorostyryl)caffeine | 8-[(E)-2-(3-chlorophe...)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425471
PNG
(CHEMBL2312981)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-n1cc(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN6O2/c1-21-13-8-14(22(2)15(13)16(25)23(3)17(21)26)24-9-12(19-20-24)10-4-6-11(18)7-5-10/h4-9H,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425482
PNG
(CHEMBL2312987)
Show SMILES COc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C18H19N3O3/c1-19-13(8-5-12-6-9-14(24-4)10-7-12)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425485
PNG
(CHEMBL2313296)
Show SMILES Cn1c(\C=C\c2ccc(F)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16FN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425490
PNG
(CHEMBL2312986)
Show SMILES CCn1c2cc(OCc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C18H20ClN3O3/c1-4-21-14-10-15(25-11-12-6-8-13(19)9-7-12)20(3)16(14)17(23)22(5-2)18(21)24/h6-10H,4-5,11H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425493
PNG
(CHEMBL2312983)
Show SMILES CCn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H18ClN3O2/c1-4-22-14(10-7-12-5-8-13(19)9-6-12)11-15-16(22)17(23)21(3)18(24)20(15)2/h5-11H,4H2,1-3H3/b10-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425503
PNG
(CHEMBL2313278)
Show SMILES Cn1c(\C=C\c2ccc(cc2)S(C)(=O)=O)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H19N3O4S/c1-19-13(8-5-12-6-9-14(10-7-12)26(4,24)25)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425507
PNG
(CHEMBL2312991)
Show SMILES Cn1c(\C=C\c2ccc3OCOc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H17N3O4/c1-19-12(6-4-11-5-7-14-15(8-11)25-10-24-14)9-13-16(19)17(22)21(3)18(23)20(13)2/h4-9H,10H2,1-3H3/b6-4+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425494
PNG
(CHEMBL2312982)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)-c1nc2ccc(Cl)cc2o1
Show InChI InChI=1S/C16H13ClN4O3/c1-19-11(14-18-9-5-4-8(17)6-12(9)24-14)7-10-13(19)15(22)21(3)16(23)20(10)2/h4-7H,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425482
PNG
(CHEMBL2312987)
Show SMILES COc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C18H19N3O3/c1-19-13(8-5-12-6-9-14(24-4)10-7-12)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b8-5+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425492
PNG
(CHEMBL2312984)
Show SMILES CCn1c2cc(\C=C\c3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H20ClN3O2/c1-4-22-16-12-15(11-8-13-6-9-14(20)10-7-13)21(3)17(16)18(24)23(5-2)19(22)25/h6-12H,4-5H2,1-3H3/b11-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425472
PNG
(CHEMBL2312977)
Show SMILES Cn1c(OCc2ccc3ccccc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-16-11-17(22(2)18(16)19(24)23(3)20(21)25)26-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425499
PNG
(CHEMBL2313283)
Show SMILES Cn1c(\C=C\c2ccccc2O)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O3/c1-18-12(9-8-11-6-4-5-7-14(11)21)10-13-15(18)16(22)20(3)17(23)19(13)2/h4-10,21H,1-3H3/b9-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425491
PNG
(CHEMBL2312985)
Show SMILES CCn1c2cc(C#Cc3ccc(Cl)cc3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C19H18ClN3O2/c1-4-22-16-12-15(11-8-13-6-9-14(20)10-7-13)21(3)17(16)18(24)23(5-2)19(22)25/h6-7,9-10,12H,4-5H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425501
PNG
(CHEMBL2313281)
Show SMILES Cn1c(\C=C\c2cccc(O)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O3/c1-18-12(8-7-11-5-4-6-13(21)9-11)10-14-15(18)16(22)20(3)17(23)19(14)2/h4-10,21H,1-3H3/b8-7+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425498
PNG
(CHEMBL2312974)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#CCc1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-19-14(11-7-10-13-8-5-4-6-9-13)12-15-16(19)17(22)21(3)18(23)20(15)2/h4-6,8-9,12H,10H2,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425487
PNG
(CHEMBL2313294)
Show SMILES COc1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C18H19N3O3/c1-19-13(9-8-12-6-5-7-14(10-12)24-4)11-15-16(19)17(22)21(3)18(23)20(15)2/h5-11H,1-4H3/b9-8+
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n/an/a 1.24E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425481
PNG
(CHEMBL2312988)
Show SMILES CCCOc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11-16)6-9-15-13-17-18(21(15)2)19(24)23(4)20(25)22(17)3/h6-11,13H,5,12H2,1-4H3/b9-6+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425481
PNG
(CHEMBL2312988)
Show SMILES CCCOc1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-5-12-26-16-10-7-14(8-11-16)6-9-15-13-17-18(21(15)2)19(24)23(4)20(25)22(17)3/h6-11,13H,5,12H2,1-4H3/b9-6+
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n/an/a 1.37E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425489
PNG
(CHEMBL2313291)
Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-21-15-10-12(11-5-4-6-13(20)9-11)7-8-14(15)16-17(21)18(24)23(3)19(25)22(16)2/h4-10H,1-3H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425509
PNG
(CHEMBL2313293)
Show SMILES Cn1c(\C=C\c2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b8-7+
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n/an/a 1.48E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50041581
PNG
(1,3,5-Trimethyl-6-((E)-styryl)-1,5-dihydro-pyrrolo...)
Show SMILES Cn1c(\C=C\c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O2/c1-18-13(10-9-12-7-5-4-6-8-12)11-14-15(18)16(21)20(3)17(22)19(14)2/h4-11H,1-3H3/b10-9+
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n/an/a 1.58E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425480
PNG
(CHEMBL2312989)
Show SMILES Cn1c(\C=C\c2ccc(Br)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16BrN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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n/an/a 1.63E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425475
PNG
(CHEMBL2313286)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-5,7-8,10H,1-3H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425474
PNG
(CHEMBL2312975)
Show SMILES Cn1c(OCc2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16ClN3O3/c1-18-12-8-13(23-9-10-4-6-11(17)7-5-10)19(2)14(12)15(21)20(3)16(18)22/h4-8H,9H2,1-3H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425489
PNG
(CHEMBL2313291)
Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O2/c1-21-15-10-12(11-5-4-6-13(20)9-11)7-8-14(15)16-17(21)18(24)23(3)19(25)22(16)2/h4-10H,1-3H3
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n/an/a 3.11E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425488
PNG
(CHEMBL2313292)
Show SMILES Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-16-10-9-14(26-12-13-7-5-4-6-8-13)11-15(16)17-18(21)19(24)23(3)20(25)22(17)2/h4-11H,12H2,1-3H3
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n/an/a 5.22E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425486
PNG
(CHEMBL2313295)
Show SMILES Cn1c(\C=C\c2cccc(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(8-7-11-5-4-6-12(9-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b8-7+
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n/an/a 5.69E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425510
PNG
(CHEMBL2313290)
Show SMILES Cn1c2cc(ccc2c2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
Show InChI InChI=1S/C19H17N3O2/c1-20-15-11-13(12-7-5-4-6-8-12)9-10-14(15)16-17(20)18(23)22(3)19(24)21(16)2/h4-11H,1-3H3
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n/an/a 7.63E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425495
PNG
(CHEMBL2312980)
Show SMILES Cn1c(NC(=O)c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O3/c1-19-11-8-12(18-14(22)9-4-6-10(17)7-5-9)20(2)13(11)15(23)21(3)16(19)24/h4-8H,1-3H3,(H,18,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425472
PNG
(CHEMBL2312977)
Show SMILES Cn1c(OCc2ccc3ccccc3c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-16-11-17(22(2)18(16)19(24)23(3)20(21)25)26-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425511
PNG
(CHEMBL2313289)
Show SMILES CN(C(=O)\C=C\c1ccccc1)c1cn(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C16H17N3O3/c1-17-11-13(15(21)19(3)16(17)22)18(2)14(20)10-9-12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425513
PNG
(CHEMBL2313287)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2ccn(C)c(=O)c12
Show InChI InChI=1S/C16H15N3O/c1-18-11-10-13-15(16(18)20)19(2)14(17-13)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425476
PNG
(CHEMBL2313285)
Show SMILES Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2/c1-19-13(8-7-11-5-4-6-12(18)9-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-6,9-10H,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425479
PNG
(CHEMBL2313277)
Show SMILES CC(=O)c1ccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)cc1
Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-8-5-13(6-9-14)7-10-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b10-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425488
PNG
(CHEMBL2313292)
Show SMILES Cn1c2ccc(OCc3ccccc3)cc2c2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H19N3O3/c1-21-16-10-9-14(26-12-13-7-5-4-6-8-13)11-15(16)17-18(21)19(24)23(3)20(25)22(17)2/h4-11H,12H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425502
PNG
(CHEMBL2313280)
Show SMILES Cn1c(\C=C\c2ccncc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H16N4O2/c1-18-12(5-4-11-6-8-17-9-7-11)10-13-14(18)15(21)20(3)16(22)19(13)2/h4-10H,1-3H3/b5-4+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425506
PNG
(CHEMBL2313274)
Show SMILES Cn1c(\C=C\c2cccc(N)n2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O2/c1-19-11(8-7-10-5-4-6-13(17)18-10)9-12-14(19)15(22)21(3)16(23)20(12)2/h4-9H,1-3H3,(H2,17,18)/b8-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425504
PNG
(CHEMBL2313276)
Show SMILES Cn1c(\C=C\c2cccc(c2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-20-14(8-7-12-5-4-6-13(9-12)11-19)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b8-7+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425512
PNG
(CHEMBL2313288)
Show SMILES Cn1c(\C=C\c2ccccc2)nc2n(C)c(=O)ccc12
Show InChI InChI=1S/C16H15N3O/c1-18-13-9-11-15(20)19(2)16(13)17-14(18)10-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b10-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425473
PNG
(CHEMBL2312976)
Show SMILES Cn1c(OCc2ccc(Cl)c(c2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H15ClF3N3O3/c1-22-12-7-13(23(2)14(12)15(25)24(3)16(22)26)27-8-9-4-5-11(18)10(6-9)17(19,20)21/h4-7H,8H2,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425477
PNG
((E)-8-(4-Chlorostyryl)caffeine (4a) | CHEMBL231328...)
Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H15ClN4O2/c1-19-12(9-6-10-4-7-11(17)8-5-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425505
PNG
(CHEMBL2313275)
Show SMILES CC(=O)c1cccc(\C=C\c2cc3n(C)c(=O)n(C)c(=O)c3n2C)c1
Show InChI InChI=1S/C19H19N3O3/c1-12(23)14-7-5-6-13(10-14)8-9-15-11-16-17(20(15)2)18(24)22(4)19(25)21(16)3/h5-11H,1-4H3/b9-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425500
PNG
(CHEMBL2313282)
Show SMILES Cn1c(\C=C\c2ccc(O)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H17N3O3/c1-18-12(7-4-11-5-8-13(21)9-6-11)10-14-15(18)16(22)20(3)17(23)19(14)2/h4-10,21H,1-3H3/b7-4+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425496
PNG
(CHEMBL2312979)
Show SMILES Cn1c(Oc2cccc(c2)-c2ccccc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C21H19N3O3/c1-22-17-13-18(23(2)19(17)20(25)24(3)21(22)26)27-16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-13H,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425478
PNG
(CHEMBL2313279)
Show SMILES Cn1c(\C=C\c2ccc(cc2)C#N)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16N4O2/c1-20-14(9-8-12-4-6-13(11-19)7-5-12)10-15-16(20)17(23)22(3)18(24)21(15)2/h4-10H,1-3H3/b9-8+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425484
PNG
(CHEMBL2313297)
Show SMILES Cn1c(\C=C\c2ccc(Cl)cc2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C17H16ClN3O2/c1-19-13(9-6-11-4-7-12(18)8-5-11)10-14-15(19)16(22)21(3)17(23)20(14)2/h4-10H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50425497
PNG
(CHEMBL2312978)
Show SMILES Cn1c(Oc2cccc(Cl)c2)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C15H14ClN3O3/c1-17-11-8-12(22-10-6-4-5-9(16)7-10)18(2)13(11)14(20)19(3)15(17)21/h4-8H,1-3H3
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50425483
PNG
(CHEMBL2313298)
Show SMILES Cn1c(\C=C\c2ccc(cc2)C(F)(F)F)cc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C18H16F3N3O2/c1-22-13(9-6-11-4-7-12(8-5-11)18(19,20)21)10-14-15(22)16(25)24(3)17(26)23(14)2/h4-10H,1-3H3/b9-6+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOA after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50176050
PNG
(8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...)
Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O
Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
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Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of human MAOB after 1 hr by luminescence assay


J Med Chem 56: 1247-61 (2013)


Article DOI: 10.1021/jm301686s
BindingDB Entry DOI: 10.7270/Q2SB472H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%