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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'abdalla' and Initial = 'mm'   
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
Monoamine oxidase


(Bos taurus)
BDBM50400133
PNG
(CHEMBL2178987)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
Show InChI InChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)
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5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400125
PNG
(CHEMBL2178426)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C20H25N3O3S2/c1-5-23(6-2)9-10-27-20-22-21-18(28-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400107
PNG
(CHEMBL2178981)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+
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5.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400121
PNG
(CHEMBL2178430)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Show InChI InChI=1S/C20H23N3O4S2/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(29-18)28-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400103
PNG
(CHEMBL2178985)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C22H19ClN2O5S/c1-12-13(2)22(28)30-18-9-16(7-8-17(12)18)29-10-19(26)24-25-20(27)11-31-21(25)14-3-5-15(23)6-4-14/h3-9,21H,10-11H2,1-2H3,(H,24,26)
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5.90n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400114
PNG
(CHEMBL2178437)
Show SMILES Cc1cc(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-21-22-19(27)23(17)13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,27)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400115
PNG
(CHEMBL2178436)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C22H18ClN3O5S/c1-12-13(2)21(29)31-18-9-16(7-8-17(12)18)30-10-19(27)25-26-20(28)11-32-22(26)24-15-5-3-14(23)4-6-15/h3-9,11,28H,10H2,1-2H3,(H,25,27)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400110
PNG
(CHEMBL2178441)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C25H25ClN4O4S/c1-17-14-24(31)34-22-15-20(6-7-21(17)22)33-16-23-27-28-25(30(23)19-4-2-18(26)3-5-19)35-13-10-29-8-11-32-12-9-29/h2-7,14-15H,8-13,16H2,1H3
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400118
PNG
(CHEMBL2178433)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-22-23-19(27-17)21-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,21,23)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400129
PNG
(CHEMBL2178991)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(S)s3)ccc12
Show InChI InChI=1S/C14H12N2O3S2/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12-15-16-14(20)21-12/h3-5H,6H2,1-2H3,(H,16,20)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400131
PNG
(CHEMBL2178989)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(S)o3)ccc12
Show InChI InChI=1S/C14H12N2O4S/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12-15-16-14(21)20-12/h3-5H,6H2,1-2H3,(H,16,21)
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400123
PNG
(CHEMBL2178428)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
Show InChI InChI=1S/C20H23N3O5S/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(28-18)29-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400109
PNG
(CHEMBL2178442)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C26H27ClN4O4S/c1-17-18(2)25(32)35-23-15-21(7-8-22(17)23)34-16-24-28-29-26(31(24)20-5-3-19(27)4-6-20)36-14-11-30-9-12-33-13-10-30/h3-8,15H,9-14,16H2,1-2H3
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6.40n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400124
PNG
(CHEMBL2178427)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
Show InChI InChI=1S/C19H21N3O5S/c1-13-10-18(23)26-16-11-14(2-3-15(13)16)25-12-17-20-21-19(27-17)28-9-6-22-4-7-24-8-5-22/h2-3,10-11H,4-9,12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400119
PNG
(CHEMBL2178432)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H18ClN3O4S/c1-11-12(2)19(26)28-17-9-15(7-8-16(11)17)27-10-18(25)23-24-20(29)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,25)(H2,22,24,29)
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400112
PNG
(CHEMBL2178439)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN4O3S/c1-4-29(5-2)12-13-34-25-28-27-23(30(25)19-8-6-18(26)7-9-19)16-32-20-10-11-21-17(3)14-24(31)33-22(21)15-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400105
PNG
(CHEMBL2178983)
Show SMILES CC(=NNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400111
PNG
(CHEMBL2178440)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN4O3S/c1-5-30(6-2)13-14-35-26-29-28-24(31(26)20-9-7-19(27)8-10-20)16-33-21-11-12-22-17(3)18(4)25(32)34-23(22)15-21/h7-12,15H,5-6,13-14,16H2,1-4H3
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6.5n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400128
PNG
(CHEMBL2178992)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
Show InChI InChI=1S/C19H23N3O4S/c1-4-22(5-2)8-9-27-19-21-20-17(26-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400113
PNG
(CHEMBL2178438)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H16ClN3O3S/c1-11-12(2)19(25)27-17-9-15(7-8-16(11)17)26-10-18-22-23-20(28)24(18)14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,28)
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400116
PNG
(CHEMBL2178435)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H16ClN3O5S/c1-12-8-20(28)30-17-9-15(6-7-16(12)17)29-10-18(26)24-25-19(27)11-31-21(25)23-14-4-2-13(22)3-5-14/h2-9,11,27H,10H2,1H3,(H,24,26)
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400117
PNG
(CHEMBL2178434)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Show InChI InChI=1S/C20H16ClN3O3S/c1-11-12(2)19(25)27-17-9-15(7-8-16(11)17)26-10-18-23-24-20(28-18)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,22,24)
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400127
PNG
(CHEMBL2178993)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
Show InChI InChI=1S/C20H25N3O4S/c1-5-23(6-2)9-10-28-20-22-21-18(27-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400120
PNG
(CHEMBL2178431)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H16ClN3O4S/c1-11-8-18(25)27-16-9-14(6-7-15(11)16)26-10-17(24)22-23-19(28)21-13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,24)(H2,21,23,28)
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7n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400106
PNG
(CHEMBL2178982)
Show SMILES CC(=NNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN2O4/c1-12-9-20(25)27-18-10-16(7-8-17(12)18)26-11-19(24)23-22-13(2)14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)
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8n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400108
PNG
(CHEMBL2178980)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H15ClN2O4/c1-12-8-19(24)26-17-9-15(6-7-16(12)17)25-11-18(23)22-21-10-13-2-4-14(20)5-3-13/h2-10H,11H2,1H3,(H,22,23)/b21-10+
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8.90n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400122
PNG
(CHEMBL2178429)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Show InChI InChI=1S/C19H21N3O4S2/c1-13-10-18(23)26-16-11-14(2-3-15(13)16)25-12-17-20-21-19(28-17)27-9-6-22-4-7-24-8-5-22/h2-3,10-11H,4-9,12H2,1H3
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9.80n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400126
PNG
(CHEMBL2178425)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)s1
Show InChI InChI=1S/C19H23N3O3S2/c1-4-22(5-2)8-9-26-19-21-20-17(27-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
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10n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400130
PNG
(CHEMBL2178990)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(S)s3)ccc12
Show InChI InChI=1S/C13H10N2O3S2/c1-7-4-12(16)18-10-5-8(2-3-9(7)10)17-6-11-14-15-13(19)20-11/h2-5H,6H2,1H3,(H,15,19)
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11n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400134
PNG
(CHEMBL2178986)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NN)ccc12
Show InChI InChI=1S/C12H12N2O4/c1-7-4-12(16)18-10-5-8(2-3-9(7)10)17-6-11(15)14-13/h2-5H,6,13H2,1H3,(H,14,15)
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11n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400104
PNG
(CHEMBL2178984)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H17ClN2O5S/c1-12-8-20(27)29-17-9-15(6-7-16(12)17)28-10-18(25)23-24-19(26)11-30-21(24)13-2-4-14(22)5-3-13/h2-9,21H,10-11H2,1H3,(H,23,25)
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11n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400132
PNG
(CHEMBL2178988)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(S)o3)ccc12
Show InChI InChI=1S/C13H10N2O4S/c1-7-4-12(16)18-10-5-8(2-3-9(7)10)17-6-11-14-15-13(20)19-11/h2-5H,6H2,1H3,(H,15,20)
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12n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
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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54n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine oxidase


(Bos taurus)
BDBM50400133
PNG
(CHEMBL2178987)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN)ccc12
Show InChI InChI=1S/C13H14N2O4/c1-7-8(2)13(17)19-11-5-9(3-4-10(7)11)18-6-12(16)15-14/h3-5H,6,14H2,1-2H3,(H,15,16)
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484n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400125
PNG
(CHEMBL2178426)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)s1
Show InChI InChI=1S/C20H25N3O3S2/c1-5-23(6-2)9-10-27-20-22-21-18(28-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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496n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400107
PNG
(CHEMBL2178981)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)N\N=C\c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H17ClN2O4/c1-12-13(2)20(25)27-18-9-16(7-8-17(12)18)26-11-19(24)23-22-10-14-3-5-15(21)6-4-14/h3-10H,11H2,1-2H3,(H,23,24)/b22-10+
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522n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400121
PNG
(CHEMBL2178430)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)s3)ccc12
Show InChI InChI=1S/C20H23N3O4S2/c1-13-14(2)19(24)27-17-11-15(3-4-16(13)17)26-12-18-21-22-20(29-18)28-10-7-23-5-8-25-9-6-23/h3-4,11H,5-10,12H2,1-2H3
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535n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400103
PNG
(CHEMBL2178985)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NN3C(SCC3=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C22H19ClN2O5S/c1-12-13(2)22(28)30-18-9-16(7-8-17(12)18)29-10-19(26)24-25-20(27)11-31-21(25)14-3-5-15(23)6-4-14/h3-9,21H,10-11H2,1-2H3,(H,24,26)
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548n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400113
PNG
(CHEMBL2178438)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H16ClN3O3S/c1-11-12(2)19(25)27-17-9-15(7-8-16(11)17)26-10-18-22-23-20(28)24(18)14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,28)
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553n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400117
PNG
(CHEMBL2178434)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(Nc4ccc(Cl)cc4)s3)ccc12
Show InChI InChI=1S/C20H16ClN3O3S/c1-11-12(2)19(25)27-17-9-15(7-8-16(11)17)26-10-18-23-24-20(28-18)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,22,24)
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554n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400127
PNG
(CHEMBL2178993)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
Show InChI InChI=1S/C20H25N3O4S/c1-5-23(6-2)9-10-28-20-22-21-18(27-20)12-25-15-7-8-16-13(3)14(4)19(24)26-17(16)11-15/h7-8,11H,5-6,9-10,12H2,1-4H3
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555n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400128
PNG
(CHEMBL2178992)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
Show InChI InChI=1S/C19H23N3O4S/c1-4-22(5-2)8-9-27-19-21-20-17(26-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
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556n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400116
PNG
(CHEMBL2178435)
Show SMILES Cc1cc(=O)oc2cc(OCC(=O)Nn3c(O)csc3=Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C21H16ClN3O5S/c1-12-8-20(28)30-17-9-15(6-7-16(12)17)29-10-18(26)24-25-19(27)11-31-21(25)23-14-4-2-13(22)3-5-14/h2-9,11,27H,10H2,1H3,(H,24,26)
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557n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400124
PNG
(CHEMBL2178427)
Show SMILES Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)o3)ccc12
Show InChI InChI=1S/C19H21N3O5S/c1-13-10-18(23)26-16-11-14(2-3-15(13)16)25-12-17-20-21-19(27-17)28-9-6-22-4-7-24-8-5-22/h2-3,10-11H,4-9,12H2,1H3
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559n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400119
PNG
(CHEMBL2178432)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC(=O)NNC(=S)Nc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C20H18ClN3O4S/c1-11-12(2)19(26)28-17-9-15(7-8-16(11)17)27-10-18(25)23-24-20(29)22-14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,25)(H2,22,24,29)
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561n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400105
PNG
(CHEMBL2178983)
Show SMILES CC(=NNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O4/c1-12-13(2)21(26)28-19-10-17(8-9-18(12)19)27-11-20(25)24-23-14(3)15-4-6-16(22)7-5-15/h4-10H,11H2,1-3H3,(H,24,25)
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563n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400111
PNG
(CHEMBL2178440)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H29ClN4O3S/c1-5-30(6-2)13-14-35-26-29-28-24(31(26)20-9-7-19(27)8-10-20)16-33-21-11-12-22-17(3)18(4)25(32)34-23(22)15-21/h7-12,15H,5-6,13-14,16H2,1-4H3
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564n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400112
PNG
(CHEMBL2178439)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN4O3S/c1-4-29(5-2)12-13-34-25-28-27-23(30(25)19-8-6-18(26)7-9-19)16-32-20-10-11-21-17(3)14-24(31)33-22(21)15-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3
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566n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400109
PNG
(CHEMBL2178442)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C26H27ClN4O4S/c1-17-18(2)25(32)35-23-15-21(7-8-22(17)23)34-16-24-28-29-26(31(24)20-5-3-19(27)4-6-20)36-14-11-30-9-12-33-13-10-30/h3-8,15H,9-14,16H2,1-2H3
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568n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400114
PNG
(CHEMBL2178437)
Show SMILES Cc1cc(=O)oc2cc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C19H14ClN3O3S/c1-11-8-18(24)26-16-9-14(6-7-15(11)16)25-10-17-21-22-19(27)23(17)13-4-2-12(20)3-5-13/h2-9H,10H2,1H3,(H,22,27)
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569n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
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