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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'hales' and Initial = 'nj'   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292299
PNG
((5S)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-...)
Show SMILES Cc1cc(on1)-c1ccc(cc1F)N1C[C@H](CNc2ccon2)OC1=O
Show InChI InChI=1S/C17H15FN4O4/c1-10-6-15(26-20-10)13-3-2-11(7-14(13)18)22-9-12(25-17(22)23)8-19-16-4-5-24-21-16/h2-7,12H,8-9H2,1H3,(H,19,21)/t12-/m0/s1
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420n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159379
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES Fc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C17H16F2N4O4S/c18-15-7-12(1-2-14(15)11-3-5-28(25,26)6-4-11)23-9-13(27-17(23)24)8-22-10-16(19)20-21-22/h1-3,7,10,13H,4-6,8-9H2/t13-/m0/s1
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500n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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540n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM26114
PNG
(CHEMBL88972 | pyridine carboxylate, 6b | pyridine-...)
Show SMILES OC(=O)c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
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800n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292302
PNG
(CHEMBL390465 | N-(((S)-3-(3-fluoro-4-(3-methylisox...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(-c2cc(C)no2)c(F)c1
Show InChI InChI=1S/C16H16FN3O4/c1-9-5-15(24-19-9)13-4-3-11(6-14(13)17)20-8-12(23-16(20)22)7-18-10(2)21/h3-6,12H,7-8H2,1-2H3,(H,18,21)/t12-/m0/s1
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950n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159388
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES Fc1cnnn1C[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C17H16F2N4O4S/c18-15-7-12(1-2-14(15)11-3-5-28(25,26)6-4-11)22-9-13(27-17(22)24)10-23-16(19)8-20-21-23/h1-3,7-8,13H,4-6,9-10H2/t13-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292301
PNG
((5R)-5-((1H-1,2,3-triazol-1-yl)methyl)-3-(3-fluoro...)
Show SMILES Cc1cc(on1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C16H14FN5O3/c1-10-6-15(25-19-10)13-3-2-11(7-14(13)17)22-9-12(24-16(22)23)8-21-5-4-18-20-21/h2-7,12H,8-9H2,1H3/t12-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159382
PNG
((R)-5-(4-Chloro-[1,2,3]triazol-1-ylmethyl)-3-[4-(1...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(Cl)nn2)OC1=O
Show InChI InChI=1S/C17H16ClFN4O4S/c18-16-10-22(21-20-16)8-13-9-23(17(24)27-13)12-1-2-14(15(19)7-12)11-3-5-28(25,26)6-4-11/h1-3,7,10,13H,4-6,8-9H2/t13-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159372
PNG
(1-{(R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(C=O)nn2)OC1=O
Show InChI InChI=1S/C18H17FN4O5S/c19-17-7-14(1-2-16(17)12-3-5-29(26,27)6-4-12)23-10-15(28-18(23)25)9-22-8-13(11-24)20-21-22/h1-3,7-8,11,15H,4-6,9-10H2/t15-/m0/s1
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3.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159385
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2ccnn2)OC1=O
Show InChI InChI=1S/C17H17FN4O4S/c18-16-9-13(1-2-15(16)12-3-7-27(24,25)8-4-12)22-11-14(26-17(22)23)10-21-6-5-19-20-21/h1-3,5-6,9,14H,4,7-8,10-11H2/t14-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159370
PNG
(1-{(R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*...)
Show SMILES CC(C)(C)OC(=O)c1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C22H25FN4O6S/c1-22(2,3)33-20(28)19-13-26(25-24-19)11-16-12-27(21(29)32-16)15-4-5-17(18(23)10-15)14-6-8-34(30,31)9-7-14/h4-6,10,13,16H,7-9,11-12H2,1-3H3/t16-/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159380
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES Cc1cnnn1C[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C18H19FN4O4S/c1-12-9-20-21-23(12)11-15-10-22(18(24)27-15)14-2-3-16(17(19)8-14)13-4-6-28(25,26)7-5-13/h2-4,8-9,15H,5-7,10-11H2,1H3/t15-/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159375
PNG
(CHEMBL179191 | N-{(S)-3-[4-(1,1-Dioxo-1,2,3,6-tetr...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1
Show InChI InChI=1S/C17H19FN2O5S/c1-11(21)19-9-14-10-20(17(22)25-14)13-2-3-15(16(18)8-13)12-4-6-26(23,24)7-5-12/h2-4,8,14H,5-7,9-10H2,1H3,(H,19,21)/t14-/m0/s1
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5.90E+3n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159378
PNG
((R)-5-(4-Bromo-[1,2,3]triazol-1-ylmethyl)-3-[4-(1,...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(Br)nn2)OC1=O
Show InChI InChI=1S/C17H16BrFN4O4S/c18-16-10-22(21-20-16)8-13-9-23(17(24)27-13)12-1-2-14(15(19)7-12)11-3-5-28(25,26)6-4-11/h1-3,7,10,13H,4-6,8-9H2/t13-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50116067
PNG
((Linezolid)N-[3-(3-Fluoro-4-morpholin-4-yl-phenyl)...)
Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1
Show InChI InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50292300
PNG
((5R)-3-(3-fluoro-4-(3-methylisoxazol-5-yl)phenyl)-...)
Show SMILES Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(-c3cc(C)no3)c(F)c2)nn1
Show InChI InChI=1S/C17H16FN5O3/c1-10-5-16(26-20-10)14-4-3-12(6-15(14)18)23-9-13(25-17(23)24)8-22-7-11(2)19-21-22/h3-7,13H,8-9H2,1-2H3/t13-/m0/s1
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2.26E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition human liver MAOA activity


Bioorg Med Chem Lett 17: 337-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.063
BindingDB Entry DOI: 10.7270/Q2HH6JQR
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159386
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C18H19FN4O4S/c1-12-9-22(21-20-12)10-15-11-23(18(24)27-15)14-2-3-16(17(19)8-14)13-4-6-28(25,26)7-5-13/h2-4,8-9,15H,5-7,10-11H2,1H3/t15-/m0/s1
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2.50E+4n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159374
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES OCc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C18H19FN4O5S/c19-17-7-14(1-2-16(17)12-3-5-29(26,27)6-4-12)23-10-15(28-18(23)25)9-22-8-13(11-24)20-21-22/h1-3,7-8,15,24H,4-6,9-11H2/t15-/m0/s1
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4.70E+4n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159371
PNG
(CHEMBL360090 | Phosphoric acid 1-{(R)-3-[4-(1,1-di...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(COP(=O)(Oc3ccccc3)Oc3ccccc3)nn2)OC1=O
Show InChI InChI=1S/C30H28FN4O8PS/c31-29-17-24(11-12-28(29)22-13-15-45(38,39)16-14-22)35-20-27(41-30(35)36)19-34-18-23(32-33-34)21-40-44(37,42-25-7-3-1-4-8-25)43-26-9-5-2-6-10-26/h1-13,17-18,27H,14-16,19-21H2/t27-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159373
PNG
((R)-5-[4-(2,2-Dibromo-vinyl)-[1,2,3]triazol-1-ylme...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(C=C(Br)Br)nn2)OC1=O
Show InChI InChI=1S/C19H17Br2FN4O4S/c20-18(21)7-13-9-25(24-23-13)10-15-11-26(19(27)30-15)14-1-2-16(17(22)8-14)12-3-5-31(28,29)6-4-12/h1-3,7-9,15H,4-6,10-11H2/t15-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159377
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES CC(C)c1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C20H23FN4O4S/c1-13(2)19-12-24(23-22-19)10-16-11-25(20(26)29-16)15-3-4-17(18(21)9-15)14-5-7-30(27,28)8-6-14/h3-5,9,12-13,16H,6-8,10-11H2,1-2H3/t16-/m0/s1
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1.02E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159376
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES C[Si](C)(C)C#Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C22H25FN4O4SSi/c1-33(2,3)11-8-17-13-26(25-24-17)14-19-15-27(22(28)31-19)18-4-5-20(21(23)12-18)16-6-9-32(29,30)10-7-16/h4-6,12-13,19H,7,9-10,14-15H2,1-3H3/t19-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159387
PNG
((1-{(R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(CC#N)nn2)OC1=O
Show InChI InChI=1S/C19H18FN5O4S/c20-18-9-15(1-2-17(18)13-4-7-30(27,28)8-5-13)25-12-16(29-19(25)26)11-24-10-14(3-6-21)22-23-24/h1-2,4,9-10,16H,3,5,7-8,11-12H2/t16-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159384
PNG
((R)-5-[4-((E)-2-Bromo-vinyl)-[1,2,3]triazol-1-ylme...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(\C=C\Br)nn2)OC1=O
Show InChI InChI=1S/C19H18BrFN4O4S/c20-6-3-14-10-24(23-22-14)11-16-12-25(19(26)29-16)15-1-2-17(18(21)9-15)13-4-7-30(27,28)8-5-13/h1-4,6,9-10,16H,5,7-8,11-12H2/b6-3+/t16-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159383
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES CCc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1
Show InChI InChI=1S/C19H21FN4O4S/c1-2-14-10-23(22-21-14)11-16-12-24(19(25)28-16)15-3-4-17(18(20)9-15)13-5-7-29(26,27)8-6-13/h3-5,9-10,16H,2,6-8,11-12H2,1H3/t16-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50159381
PNG
((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...)
Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(nn2)C#C)OC1=O
Show InChI InChI=1S/C19H17FN4O4S/c1-2-14-10-23(22-21-14)11-16-12-24(19(25)28-16)15-3-4-17(18(20)9-15)13-5-7-29(26,27)8-6-13/h1,3-5,9-10,16H,6-8,11-12H2/t16-/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



AstraZeneca Discovery

Curated by ChEMBL


Assay Description
Binding affinity for human liver monoamine oxidase A


J Med Chem 48: 499-506 (2005)


Article DOI: 10.1021/jm0400810
BindingDB Entry DOI: 10.7270/Q2VH5NBS
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042876
PNG
(CHEMBL332005 | [2,2']Bipyridinyl-5,5'-dicarboxylic...)
Show SMILES OC(=O)c1ccc(nc1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
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n/an/a 185n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))
BDBM50042876
PNG
(CHEMBL332005 | [2,2']Bipyridinyl-5,5'-dicarboxylic...)
Show SMILES OC(=O)c1ccc(nc1)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C12H8N2O4/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)
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n/an/a 190n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042873
PNG
(5'-(4-Ethoxy-phenylcarbamoyl)-[2,2']bipyridinyl-5-...)
Show SMILES CCOc1ccc(NC(=O)c2ccc(nc2)-c2ccc(cn2)C(O)=O)cc1
Show InChI InChI=1S/C20H17N3O4/c1-2-27-16-7-5-15(6-8-16)23-19(24)13-3-9-17(21-11-13)18-10-4-14(12-22-18)20(25)26/h3-12H,2H2,1H3,(H,23,24)(H,25,26)
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n/an/a 320n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM26106
PNG
(CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...)
Show SMILES OC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)
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n/an/a 2.89E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042872
PNG
(3-phenylsulfonamidocarbonyl-6-(5-phenylsulfonamido...)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(nc1)-c1ccc(cn1)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H18N4O6S2/c29-23(27-35(31,32)19-7-3-1-4-8-19)17-11-13-21(25-15-17)22-14-12-18(16-26-22)24(30)28-36(33,34)20-9-5-2-6-10-20/h1-16H,(H,27,29)(H,28,30)
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n/an/a 5.04E+3n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM26114
PNG
(CHEMBL88972 | pyridine carboxylate, 6b | pyridine-...)
Show SMILES OC(=O)c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
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n/an/a 5.18E+3n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM26114
PNG
(CHEMBL88972 | pyridine carboxylate, 6b | pyridine-...)
Show SMILES OC(=O)c1ccc(nc1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
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n/an/a 5.18E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042875
PNG
(CHEMBL125345 | Potassium; [2,2']bipyridinyl-5-carb...)
Show SMILES [O-]C(=O)c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C11H8N2O2/c14-11(15)8-4-5-10(13-7-8)9-3-1-2-6-12-9/h1-7H,(H,14,15)/p-1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042877
PNG
(CHEMBL420149 | N-([2,2']Bipyridinyl-5-carbonyl)-be...)
Show SMILES O=C(NS(=O)(=O)c1ccccc1)c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C17H13N3O3S/c21-17(20-24(22,23)14-6-2-1-3-7-14)13-9-10-16(19-12-13)15-8-4-5-11-18-15/h1-12H,(H,20,21)
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n/an/a 3.38E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50042874
PNG
(2,2'-Bipyridin | 2,2'-bipyridine | 2,2'-bipyridyl ...)
Show SMILES c1ccc(nc1)-c1ccccn1
Show InChI InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
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n/an/a 3.42E+4n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM50000866
PNG
(2-(Oxalyl-amino)-propionic acid (0.25H2O) | CHEMBL...)
Show SMILES C[C@H](NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m0/s1
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n/an/a 3.82E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM50000865
PNG
(2-(Oxalyl-amino)-propionic acid | CHEMBL314979)
Show SMILES CC(NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)
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n/an/a 9.07E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase 4 (HIF)


(Homo sapiens (Human))
BDBM50000407
PNG
(2-carboxypyridine | CHEMBL72628 | alpha-picolinic ...)
Show SMILES OC(=O)c1ccccn1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
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n/an/a 1.12E+5n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of prolyl 4-hydroxylase by chromatographic determination of [14C]-succinic acid on ion-exchange minicolumna


J Med Chem 36: 3853-8 (1994)


Article DOI: 10.1021/jm00076a014
BindingDB Entry DOI: 10.7270/Q2RJ4HJV
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM50000864
PNG
(CHEMBL314175 | N-(2-Methanesulfonylamino-2-oxo-eth...)
Show SMILES CS(=O)(=O)NC(=O)CNC(=O)C(O)=O
Show InChI InChI=1S/C5H8N2O6S/c1-14(12,13)7-3(8)2-6-4(9)5(10)11/h2H2,1H3,(H,6,9)(H,7,8)(H,10,11)
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n/an/a 4.14E+5n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair
Prolyl 4-hydroxylase alpha-1 subunit


(Rattus norvegicus)
BDBM50000863
PNG
(2-(Oxalyl-amino)-propionic acid | CHEMBL88472)
Show SMILES C[C@@H](NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1
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n/an/a 6.21E+5n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl 4-hydroxylase at 50 ug/mL


J Med Chem 35: 2652-8 (1992)


Article DOI: 10.1021/jm00092a016
BindingDB Entry DOI: 10.7270/Q28P5ZF9
More data for this
Ligand-Target Pair