Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 44   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103881 (US10125133, Example 8 | US10968221, Example 8 | US...) Show SMILES CN(C)[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r| Show InChI InChI=1S/C27H28N6/c1-19-4-8-22(9-5-19)26-25(21-10-6-20(15-28)7-11-21)14-23(27-29-18-30-33(26)27)16-32-13-12-24(17-32)31(2)3/h4-11,14,18,24H,12-13,16-17H2,1-3H3/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103884 (US10125133, Example 11 | US10968221, Example 11 | ...) Show SMILES CN[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r| Show InChI InChI=1S/C26H26N6/c1-18-3-7-21(8-4-18)25-24(20-9-5-19(14-27)6-10-20)13-22(26-29-17-30-32(25)26)15-31-12-11-23(16-31)28-2/h3-10,13,17,23,28H,11-12,15-16H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103883 (US10125133, Example 10 | US10968221, Example 10 | ...) Show SMILES CN[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r| Show InChI InChI=1S/C26H26N6/c1-18-3-7-21(8-4-18)25-24(20-9-5-19(14-27)6-10-20)13-22(26-29-17-30-32(25)26)15-31-12-11-23(16-31)28-2/h3-10,13,17,23,28H,11-12,15-16H2,1-2H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103874 (US10125133, Example 1 | US10968221, Example 1 | US...) Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C25H23N5O/c1-17-2-6-21(7-3-17)24-22(20-8-4-18(13-26)5-9-20)12-23(25-28-16-29-30(24)25)31-15-19-10-11-27-14-19/h2-9,12,16,19,27H,10-11,14-15H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103885 (US10125133, Example 12 | US10968221, Example 12 | ...) Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H22N6O/c1-16-2-6-20(7-3-16)22-21(19-8-4-17(12-25)5-9-19)29-24(23-27-15-28-30(22)23)31-14-18-10-11-26-13-18/h2-9,15,18,26H,10-11,13-14H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103875 (US10125133, Example 2 | US10968221, Example 2 | US...) Show SMILES Cc1ccc(cc1)-c1c(cc(CCC2CCNC2)c2ncnn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C26H25N5/c1-18-2-7-22(8-3-18)25-24(21-9-4-19(15-27)5-10-21)14-23(26-29-17-30-31(25)26)11-6-20-12-13-28-16-20/h2-5,7-10,14,17,20,28H,6,11-13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103876 (US10125133, Example 3 | US10968221, Example 3 | US...) Show SMILES CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 Show InChI InChI=1S/C27H27N5/c1-19-3-8-23(9-4-19)26-25(22-10-5-20(16-28)6-11-22)15-24(27-29-18-30-32(26)27)12-7-21-13-14-31(2)17-21/h3-6,8-11,15,18,21H,7,12-14,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103882 (US10125133, Example 9 | US10968221, Example 9 | US...) Show SMILES CN(C)[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r| Show InChI InChI=1S/C27H28N6/c1-19-4-8-22(9-5-19)26-25(21-10-6-20(15-28)7-11-21)14-23(27-29-18-30-33(26)27)16-32-13-12-24(17-32)31(2)3/h4-11,14,18,24H,12-13,16-17H2,1-3H3/t24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103878 (US10125133, Example 5 | US10968221, Example 5 | US...) Show SMILES Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCC(N)C3)c2)c2ncnn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C31H28N6/c1-21-5-9-25(10-6-21)30-28(24-11-7-22(17-32)8-12-24)16-29(31-34-20-35-37(30)31)26-4-2-3-23(15-26)18-36-14-13-27(33)19-36/h2-12,15-16,20,27H,13-14,18-19,33H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103886 (US10125133, Example 13 | US10968221, Example 13 | ...) Show SMILES CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1 |r| Show InChI InChI=1S/C25H24N6O/c1-17-3-7-21(8-4-17)23-22(20-9-5-18(13-26)6-10-20)29-25(24-27-16-28-31(23)24)32-15-19-11-12-30(2)14-19/h3-10,16,19H,11-12,14-15H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103879 (US9695167, 6) Show SMILES Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCNCC3)c2)c2ncnn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C31H28N6/c1-22-5-9-26(10-6-22)30-28(25-11-7-23(19-32)8-12-25)18-29(31-34-21-35-37(30)31)27-4-2-3-24(17-27)20-36-15-13-33-14-16-36/h2-12,17-18,21,33H,13-16,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103877 (US10125133, Example 4 | US10968221, Example 4 | US...) Show SMILES CNCc1cccc(c1)-c1cc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ncnc12 Show InChI InChI=1S/C28H23N5/c1-19-6-10-23(11-7-19)27-25(22-12-8-20(16-29)9-13-22)15-26(28-31-18-32-33(27)28)24-5-3-4-21(14-24)17-30-2/h3-15,18,30H,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852] (Homo sapiens (Human))	BDBM103880 (US10125133, Example 7 | US10968221, Example 7 | US...) Show SMILES CN1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)CC1 Show InChI InChI=1S/C26H26N6/c1-19-3-7-22(8-4-19)25-24(21-9-5-20(16-27)6-10-21)15-23(26-28-18-29-32(25)26)17-31-13-11-30(2)12-14-31/h3-10,15,18H,11-14,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	25
Incyte Corporation US Patent					Assay Description LANCE LSD1/KDM1A demethylase assay¿10 uL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 mM Na...				US Patent US9695167 (2017) BindingDB Entry DOI: 10.7270/Q2XP7334
					More data for this Ligand-Target Pair