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PubMed code 30448189

Compile data set for download or QSAR
Found 28 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
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 3.10n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
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 |r|
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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n/an/a 71n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503631
PNG
(CHEMBL4436792)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
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n/an/a 283n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503643
PNG
(CHEMBL4461182)
Show SMILES Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C19H16N2O/c20-16-5-3-4-14(12-16)7-8-15-9-10-19(22)17(13-15)18-6-1-2-11-21-18/h1-13,22H,20H2/b8-7+
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n/an/a 301n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503637
PNG
(CHEMBL4450806)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)8-9-15-10-11-22-18(13-15)17-6-1-2-7-19(17)24/h1-13,24-25H,(H2,21,23)/b9-8+
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n/an/a 364n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503633
PNG
(CHEMBL4462355)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)7-8-15-9-10-19(24)17(13-15)18-6-1-2-11-22-18/h1-13,24-25H,(H2,21,23)/b8-7+
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n/an/a 720n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503638
PNG
(CHEMBL4516105)
Show SMILES N\C(=N/O)c1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-9-7-14(8-10-16)5-6-15-11-12-22-18(13-15)17-3-1-2-4-19(17)24/h1-13,24-25H,(H2,21,23)/b6-5+
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n/an/a 764n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503635
PNG
(CHEMBL4573261)
Show SMILES Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)c1
Show InChI InChI=1S/C18H15N3O/c19-15-4-1-3-13(11-15)5-6-14-7-8-17(22)16(12-14)18-20-9-2-10-21-18/h1-12,22H,19H2/b6-5+
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n/an/a 859n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503640
PNG
(CHEMBL4566525)
Show SMILES N\C(=N/O)c1ccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)cc1
Show InChI InChI=1S/C19H16N4O2/c20-18(23-25)15-7-4-13(5-8-15)2-3-14-6-9-17(24)16(12-14)19-21-10-1-11-22-19/h1-12,24-25H,(H2,20,23)/b3-2+
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n/an/a 920n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503634
PNG
(CHEMBL4583548)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)c1
Show InChI InChI=1S/C19H16N4O2/c20-18(23-25)15-4-1-3-13(11-15)5-6-14-7-8-17(24)16(12-14)19-21-9-2-10-22-19/h1-12,24-25H,(H2,20,23)/b6-5+
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n/an/a 1.29E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503641
PNG
(CHEMBL4554089)
Show SMILES Nc1cccc(\C=C\c2ccc(O)c(c2)-c2cc(O)ccn2)c1
Show InChI InChI=1S/C19H16N2O2/c20-15-3-1-2-13(10-15)4-5-14-6-7-19(23)17(11-14)18-12-16(22)8-9-21-18/h1-12,23H,20H2,(H,21,22)/b5-4+
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n/an/a 1.47E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503645
PNG
(CHEMBL4440188)
Show SMILES Nc1ccc(\C=C\c2ccnc(c2)-c2ccccc2O)cc1
Show InChI InChI=1S/C19H16N2O/c20-16-9-7-14(8-10-16)5-6-15-11-12-21-18(13-15)17-3-1-2-4-19(17)22/h1-13,22H,20H2/b6-5+
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n/an/a 2.96E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503632
PNG
(CHEMBL4520476)
Show SMILES Nc1ccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)cc1
Show InChI InChI=1S/C19H16N2O/c20-16-9-6-14(7-10-16)4-5-15-8-11-19(22)17(13-15)18-3-1-2-12-21-18/h1-13,22H,20H2/b5-4+
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n/an/a 3.57E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503644
PNG
(CHEMBL4475277)
Show SMILES Oc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C19H15NO2/c21-16-5-3-4-14(12-16)7-8-15-9-10-19(22)17(13-15)18-6-1-2-11-20-18/h1-13,21-22H/b8-7+
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n/an/a 4.24E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503639
PNG
(CHEMBL4444151)
Show SMILES Nc1ccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)cc1
Show InChI InChI=1S/C19H15FN2O/c20-15-5-8-19(23)17(12-15)18-11-14(9-10-22-18)2-1-13-3-6-16(21)7-4-13/h1-12,23H,21H2/b2-1+
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n/an/a 9.03E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503636
PNG
(CHEMBL4476120)
Show SMILES Nc1ccc(\C=C\c2ccc(O)c(c2)-c2ncccn2)cc1
Show InChI InChI=1S/C18H15N3O/c19-15-7-4-13(5-8-15)2-3-14-6-9-17(22)16(12-14)18-20-10-1-11-21-18/h1-12,22H,19H2/b3-2+
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n/an/a 9.55E+3n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503642
PNG
(CHEMBL4445950)
Show SMILES Nc1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C19H15FN2O/c20-15-6-7-19(23)17(12-15)18-11-14(8-9-22-18)5-4-13-2-1-3-16(21)10-13/h1-12,23H,21H2/b5-4+
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n/an/a 1.18E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) using H3K4me2 peptide as substrate after 30 mins by fluoresce...

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50503631
PNG
(CHEMBL4436792)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50503637
PNG
(CHEMBL4450806)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)8-9-15-10-11-22-18(13-15)17-6-1-2-7-19(17)24/h1-13,24-25H,(H2,21,23)/b9-8+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50503643
PNG
(CHEMBL4461182)
Show SMILES Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C19H16N2O/c20-16-5-3-4-14(12-16)7-8-15-9-10-19(22)17(13-15)18-6-1-2-11-21-18/h1-13,22H,20H2/b8-7+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50503643
PNG
(CHEMBL4461182)
Show SMILES Nc1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C19H16N2O/c20-16-5-3-4-14(12-16)7-8-15-9-10-19(22)17(13-15)18-6-1-2-11-21-18/h1-13,22H,20H2/b8-7+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50503637
PNG
(CHEMBL4450806)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2ccccc2O)c1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)8-9-15-10-11-22-18(13-15)17-6-1-2-7-19(17)24/h1-13,24-25H,(H2,21,23)/b9-8+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50503633
PNG
(CHEMBL4462355)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)7-8-15-9-10-19(24)17(13-15)18-6-1-2-11-22-18/h1-13,24-25H,(H2,21,23)/b8-7+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50503633
PNG
(CHEMBL4462355)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccc(O)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)7-8-15-9-10-19(24)17(13-15)18-6-1-2-11-22-18/h1-13,24-25H,(H2,21,23)/b8-7+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50503631
PNG
(CHEMBL4436792)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503631
PNG
(CHEMBL4436792)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
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n/an/an/a 5.5n/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Binding affinity to full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) by SPR assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50503631
PNG
(CHEMBL4436792)
Show SMILES N\C(=N/O)c1cccc(\C=C\c2ccnc(c2)-c2cc(F)ccc2O)c1
Show InChI InChI=1S/C20H16FN3O2/c21-16-6-7-19(25)17(12-16)18-11-14(8-9-23-18)5-4-13-2-1-3-15(10-13)20(22)24-26/h1-12,25-26H,(H2,22,24)/b5-4+
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n/an/an/a 1n/an/an/an/an/a



Xinxiang Medical University

Curated by ChEMBL


Assay Description
Binding affinity to full length LSD1 (unknown origin) expressed in Escherichia coli BL21 (DE) assessed as dissociation rate constant by SPR assay

Bioorg Med Chem 26: 6000-6014 (2018)


Article DOI: 10.1016/j.bmc.2018.10.037
BindingDB Entry DOI: 10.7270/Q23T9MGZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%