Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: P09211   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM50155773 (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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	50	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254603 (US10214477, Example 5 | US9469597, 4 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	50	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254553 (US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...) Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)| Show InChI InChI=1S/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254546 (US10214477, Example 3 | US9469597, 1 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)| 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+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	50	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254556 (US10214477, Example 15 | US9469597, 15 | US9670136...) Show SMILES N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)| Show InChI InChI=1S/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50	-10.4	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254555 (US10214477, Example 14 | US9469597, 14 | US9670136...) Show SMILES CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)| Show InChI InChI=1S/C22H26F3N3O2S/c1-31(29,30)28-18-8-6-17(7-9-18)27-21-12-19(21)15-5-10-20(26-13-15)14-3-2-4-16(11-14)22(23,24)25/h2-5,10-11,13,17-19,21,27-28H,6-9,12H2,1H3/t17?,18?,19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	-8.88	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254554 (US10214477, Example 13 | US9469597, 13 | US9670136...) Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)| Show InChI InChI=1S/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	-8.88	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254552 (US9469597, 11 | US9670136, 11 4-(((trans)-2-(6-(3-...) Show SMILES OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)| Show InChI InChI=1S/C21H23F3N2O/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-25-19)18-11-20(18)26-16-5-7-17(27)8-6-16/h1-4,9-10,12,16-18,20,26-27H,5-8,11H2/t16?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	-8.88	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254602 (US9469597, 3) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(5.54,-10.9,;5.54,-9.36,;6.87,-8.59,;6.87,-7.05,;5.54,-6.28,;4.21,-7.05,;4.21,-8.59,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| 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+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	550	-8.88	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254601 (US9469597, 2) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)| 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+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	550	-8.88	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] (Homo sapiens (Human))	BDBM254549 (US10214477, Example 8 | US9469597, 8 | US9670136, ...) Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)| Show InChI InChI=1S/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	-8.88	n/a	n/a	n/a	n/a	n/a	7.4	37
Oryzon Genomics S.A. US Patent					Assay Description The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...				US Patent US9469597 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JVG
					More data for this Ligand-Target Pair