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19 similar compounds to monomer 50200389

Compile data set for download or QSAR
Wt: 329.8
BDBM11004
Purchase
Wt: 329.8
BDBM11014
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Wt: 329.8
BDBM11015
Purchase
Wt: 281.3
BDBM50249834
Purchase
Wt: 384.7
BDBM50321995
Wt: 364.2
BDBM50322000
Wt: 384.7
BDBM50322002
Wt: 350.2
BDBM50312364
Wt: 315.8
BDBM50312369
Purchase
Wt: 329.8
BDBM50312373
Wt: 274.2
BDBM50200388
Wt: 338.4
BDBM50200386

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 11004,11014,11015,50249834,50321995,50322000,50322002,50312364,50312369,50312373,50200388,50200386   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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1 -12.8n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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1.5 -12.6n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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2.70 -12.2n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11015
PNG
((+)-(R)1 | (5R)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m1/s1
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13 -11.2n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11004
PNG
(1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazo...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)
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31 -10.7n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Monoamine Oxidase Type A (MAO-A)


(Bos taurus)
BDBM11014
PNG
((-)-(S)1 | (5S)-5-(4-chlorophenyl)-3-(4-methylphen...)
Show SMILES Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-12(5-3-11)15-10-16(21(20-15)17(19)22)13-6-8-14(18)9-7-13/h2-9,16H,10H2,1H3,(H2,19,22)/t16-/m0/s1
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50 -10.4n/an/an/an/an/a7.438



Universita degli Studi di Roma La Sapienza



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kynuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 48: 7113-22 (2005)


Article DOI: 10.1021/jm040903t
BindingDB Entry DOI: 10.7270/Q2JH3JDW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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805n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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805n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins


Bioorg Med Chem Lett 21: 4296-300 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.057
BindingDB Entry DOI: 10.7270/Q2C829NS
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200388
PNG
(CHEMBL3908519)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3cccc(F)c3)c2C1
Show InChI InChI=1S/C14H15FN4O/c1-9(20)19-6-5-13-12(8-19)14(18-17-13)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8H2,1H3,(H2,16,17,18)
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n/an/a 430n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
CREB-binding protein/Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50200386
PNG
(CHEMBL3909879)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1
Show InChI InChI=1S/C20H26N4O/c1-14-4-3-5-17(12-14)21-20-18-13-23(15(2)25)10-9-19(18)24(22-20)11-8-16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3,(H,21,22)
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n/an/a 180n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged CBP/EP300 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200386
PNG
(CHEMBL3909879)
Show SMILES CC(=O)N1CCc2c(C1)c(Nc1cccc(C)c1)nn2CCC1CC1
Show InChI InChI=1S/C20H26N4O/c1-14-4-3-5-17(12-14)21-20-18-13-23(15(2)25)10-9-19(18)24(22-20)11-8-16-6-7-16/h3-5,12,16H,6-11,13H2,1-2H3,(H,21,22)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322002
PNG
(5-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)-4,5-dihy...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl3N3S/c17-11-4-1-9(2-5-11)15-8-14(21-22(15)16(20)23)10-3-6-12(18)13(19)7-10/h1-7,15H,8H2,(H2,20,23)
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n/an/a 7.32E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50322000
PNG
(3-(3,4-Dichlorophenyl)-5-p-tolyl-4,5-dihydro-1H-py...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H15Cl2N3S/c1-10-2-4-11(5-3-10)16-9-15(21-22(16)17(20)23)12-6-7-13(18)14(19)8-12/h2-8,16H,9H2,1H3,(H2,20,23)
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n/an/a 7.38E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50321995
PNG
(5-(2-Chlorophenyl)-3-(3,4-dichlorophenyl)-4,5-dihy...)
Show SMILES NC(=S)N1N=C(CC1c1ccccc1Cl)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H12Cl3N3S/c17-11-4-2-1-3-10(11)15-8-14(21-22(15)16(20)23)9-5-6-12(18)13(19)7-9/h1-7,15H,8H2,(H2,20,23)
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n/an/a 7.28E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA


Bioorg Med Chem 18: 4606-14 (2011)


Article DOI: 10.1016/j.bmc.2010.05.034
BindingDB Entry DOI: 10.7270/Q22R3SMJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312364
PNG
(3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13Cl2N3S/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)
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n/an/a 3.94E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50200388
PNG
(CHEMBL3908519)
Show SMILES CC(=O)N1CCc2[nH]nc(Nc3cccc(F)c3)c2C1
Show InChI InChI=1S/C14H15FN4O/c1-9(20)19-6-5-13-12(8-19)14(18-17-13)16-11-4-2-3-10(15)7-11/h2-4,7H,5-6,8H2,1H3,(H2,16,17,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of biotinylated ligand from recombinant His-tagged BRD4 bromodomain-1 (unknown origin) measured after 10 mins by TR-FRET assay


J Med Chem 59: 10549-10563 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01022
BindingDB Entry DOI: 10.7270/Q27083DF
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312369
PNG
(5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN3S/c17-13-8-6-12(7-9-13)15-10-14(19-20(15)16(18)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,18,21)
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n/an/a 3.33E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50249834
PNG
(3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioam...)
Show SMILES NC(=S)N1N=C(CC1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15N3S/c17-16(20)19-15(13-9-5-2-6-10-13)11-14(18-19)12-7-3-1-4-8-12/h1-10,15H,11H2,(H2,17,20)
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n/an/a 4.83E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50312364
PNG
(3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-...)
Show SMILES NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13Cl2N3S/c17-12-5-1-10(2-6-12)14-9-15(21(20-14)16(19)22)11-3-7-13(18)8-4-11/h1-8,15H,9H2,(H2,19,22)
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n/an/a 6.89E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50312373
PNG
(3-(4-chlorophenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3S/c1-11-2-4-13(5-3-11)16-10-15(20-21(16)17(19)22)12-6-8-14(18)9-7-12/h2-9,16H,10H2,1H3,(H2,19,22)
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Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


Eur J Med Chem 45: 800-4 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.003
BindingDB Entry DOI: 10.7270/Q2CR5TH5
More data for this
Ligand-Target Pair