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PubMed code 26819657

Compile data set for download or QSAR
Found 8 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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153591
PNG
(CHEMBL3775711 | US10053456, 99 | US10414761, Examp...)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)c(C)s2)s1 |r|
Show InChI InChI=1S/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)/t12-,13+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153586
PNG
(CHEMBL3775474 | US10053456, 120 | US10414761, Exam...)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@@H]1C[C@H]1NCC1CC1 |r|
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153590
PNG
(CHEMBL3774809 | US10053456, 97 | US10414761, Examp...)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CCOCC3)c(C)s2)s1 |r|
Show InChI InChI=1S/C18H24N4O2S2/c1-10-13(14-7-15(14)19-9-12-3-5-24-6-4-12)8-16(25-10)17(23)20-18-22-21-11(2)26-18/h8,12,14-15,19H,3-7,9H2,1-2H3,(H,20,22,23)/t14-,15+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153593
PNG
(CHEMBL3775351 | US10053456, 123 | US10414761, Exam...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NC1CCC1)C(=O)Nc1cnn(C)c1 |r|
Show InChI InChI=1S/C17H22N4OS/c1-10-13(14-6-15(14)19-11-4-3-5-11)7-16(23-10)17(22)20-12-8-18-21(2)9-12/h7-9,11,14-15,19H,3-6H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153589
PNG
(CHEMBL3775312 | US10053456, 95 | US10414761, Examp...)
Show SMILES Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1 |r|
Show InChI InChI=1S/C16H20N4OS2/c1-8-11(12-5-13(12)17-7-10-3-4-10)6-14(22-8)15(21)18-16-20-19-9(2)23-16/h6,10,12-13,17H,3-5,7H2,1-2H3,(H,18,20,21)/t12-,13+/m0/s1
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Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153592
PNG
(CHEMBL3774654 | US10053456, 102 | US10414761, Exam...)
Show SMILES Cc1sc(cc1[C@@H]1C[C@H]1NCC1CC1)C(=O)Nc1cnn(C)c1 |r|
Show InChI InChI=1S/C17H22N4OS/c1-10-13(14-5-15(14)18-7-11-3-4-11)6-16(23-10)17(22)20-12-8-19-21(2)9-12/h6,8-9,11,14-15,18H,3-5,7H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
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Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153588
PNG
(CHEMBL3775480 | US10053456, 119 | US10414761, Exam...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NC2CCC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-5-9(7-21-13)11-6-12(11)16-10-3-2-4-10/h5,7,10-12,16H,2-4,6H2,1H3,(H,17,19,20)/t11-,12+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50153587
PNG
(CHEMBL3775248 | US10053456, 82 | US10414761, Examp...)
Show SMILES Cc1nnc(NC(=O)c2cc(cs2)[C@@H]2C[C@H]2NCC2CC2)s1 |r|
Show InChI InChI=1S/C15H18N4OS2/c1-8-18-19-15(22-8)17-14(20)13-4-10(7-21-13)11-5-12(11)16-6-9-2-3-9/h4,7,9,11-12,16H,2-3,5-6H2,1H3,(H,17,19,20)/t11-,12+/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LSD1 (172 to 833 residues) expressed in Escherichia coli C43(DE3) pLysS using biotinylated histone H3 mono methylated ...

ACS Med Chem Lett 7: 10-1 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00422
BindingDB Entry DOI: 10.7270/Q2RX9DZP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%