Compile Data Set for Download or QSAR
Found 122 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 767
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283128(4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-t...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283129(4-[2-(4-amino-piperidin-1-yl)-5- (4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O2/c1-28-23(30)21(17-7-9-20(31-2)10-8-17)22(18-5-3-16(15-25)4-6-18)27-24(28)29-13-11-19(26)12-14-29/h3-10,19H,11-14,26H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283134(4-[2-(4-amino-piperidin-1-yl)-5- (6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O2/c1-28-22(30)20(17-7-8-19(31-2)26-14-17)21(16-5-3-15(13-24)4-6-16)27-23(28)29-11-9-18(25)10-12-29/h3-8,14,18H,9-12,25H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283199(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(6-methy...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-15-3-6-18(14-26-15)20-21(17-7-4-16(13-24)5-8-17)27-23(28(2)22(20)30)29-11-9-19(25)10-12-29/h3-8,14,19H,9-12,25H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283200(4-[2-(4-amino-piperidin-1-yl)-5-(4- methoxyphenyl)...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24FN5O2/c1-29-23(31)21(17-7-8-20(32-2)19(25)13-17)22(16-5-3-15(14-26)4-6-16)28-24(29)30-11-9-18(27)10-12-30/h3-8,13,18H,9-12,27H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283215(4-[2-(4-amino-piperidin-1-yl)-5- (4-methoxyphenyl)...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-29-23(31)21(15-5-7-19(32-2)8-6-15)22(16-3-4-17(14-26)20(25)13-16)28-24(29)30-11-9-18(27)10-12-30/h3-8,13,18H,9-12,27H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283216(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283217(4-[2-(4-amino-piperidin-1-yl)-5- (6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H23FN6O2/c1-29-22(31)20(16-5-6-19(32-2)27-13-16)21(14-3-4-15(12-25)18(24)11-14)28-23(29)30-9-7-17(26)8-10-30/h3-6,11,13,17H,7-10,26H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283218(4-[2-(4-amino-piperidin-1-yl)-5- (6-methoxy-pyridi...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H23FN6O/c1-14-3-4-17(13-27-14)20-21(15-5-6-16(12-25)19(24)11-15)28-23(29(2)22(20)31)30-9-7-18(26)8-10-30/h3-6,11,13,18H,7-10,26H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283220(4-[2-(4-amino-piperidin-1-yl)-5-(6- ethyl-pyridin-...)
Show SMILES CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6O/c1-3-20-9-8-18(15-27-20)21-22(17-6-4-16(14-25)5-7-17)28-24(29(2)23(21)31)30-12-10-19(26)11-13-30/h4-9,15,19H,3,10-13,26H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283221(2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(4-me...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)c(=O)n1C
Show InChI InChI=1S/C25H26FN5O2/c1-28-19-10-12-31(13-11-19)25-29-23(17-4-5-18(15-27)21(26)14-17)22(24(32)30(25)2)16-6-8-20(33-3)9-7-16/h4-9,14,19,28H,10-13H2,1-3H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283222(2-fluoro-4-[5-(3-fluoro-4-methoxy- phenyl)-1-methy...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)c(F)c2)c(=O)n1C
Show InChI InChI=1S/C25H25F2N5O2/c1-29-18-8-10-32(11-9-18)25-30-23(16-4-5-17(14-28)19(26)13-16)22(24(33)31(25)2)15-6-7-21(34-3)20(27)12-15/h4-7,12-13,18,29H,8-11H2,1-3H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283224(4-[2-(4-amino-piperidin-1-yl)-5- cyclopentylethyny...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#CC2CCCC2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C24H26FN5O/c1-29-23(31)20(9-6-16-4-2-3-5-16)22(17-7-8-18(15-26)21(25)14-17)28-24(29)30-12-10-19(27)11-13-30/h7-8,14,16,19H,2-5,10-13,27H2,1H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM289872(US9573930, Example 15 | [2-(4-amino-piperidin-1-yl...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc([N+]#N)c(F)c1
Show InChI InChI=1S/C24H23FN6O4/c1-35-17-5-2-14(3-6-17)21-22(15-4-7-19(29-27)18(25)12-15)28-24(30-10-8-16(26)9-11-30)31(23(21)34)13-20(32)33/h2-7,12,16H,8-11,13,26H2,1H3/p+1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283226(2-[2-(4-amino-piperidin-1-yl)-4- (4-cyano-3-fluoro...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(N)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H25FN6O3/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)30-25(31-10-8-18(28)9-11-31)32(24(22)34)14-21(29)33/h2-7,12,18H,8-11,14,28H2,1H3,(H2,29,33)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283228(4-[2-(4-amino-piperidin-1-yl)-5- benzofuran-5-yl-1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3occc3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H22FN5O2/c1-30-24(32)22(16-4-5-21-15(12-16)8-11-33-21)23(17-2-3-18(14-27)20(26)13-17)29-25(30)31-9-6-19(28)7-10-31/h2-5,8,11-13,19H,6-7,9-10,28H2,1H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283231(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM289877(4-[2-(4-aminopiperidin-1-yl)-5-chloro-1-methyl-6-o...)
Show SMILES Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(Cl)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C17H17ClFN5O/c1-21-13-4-3-10(9-12(13)19)15-14(18)16(25)23(2)17(22-15)24-7-5-11(20)6-8-24/h3-4,9,11H,5-8,20H2,2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283233(2-fluoro-4-[1-methyl-2- (4-methylamino-piperidin-1...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
Show InChI InChI=1S/C24H25FN6O/c1-15-4-5-18(14-28-15)21-22(16-6-7-17(13-26)20(25)12-16)29-24(30(3)23(21)32)31-10-8-19(27-2)9-11-31/h4-7,12,14,19,27H,8-11H2,1-3H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283234(4-[2-(2,8-diaza-spiro[4.5]dec-8-yl)- 5-(3-fluoro-4...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC3(CCNC3)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C27H27F2N5O2/c1-33-25(35)23(17-5-6-22(36-2)21(29)13-17)24(18-3-4-19(15-30)20(28)14-18)32-26(33)34-11-8-27(9-12-34)7-10-31-16-27/h3-6,13-14,31H,7-12,16H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283235(4-{2-(4-aminopiperidyl)-1-methyl- 6-oxo-5-[6-(trif...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)C(F)(F)F)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H20F4N6O/c1-32-21(34)19(15-4-5-18(30-12-15)23(25,26)27)20(13-2-3-14(11-28)17(24)10-13)31-22(32)33-8-6-16(29)7-9-33/h2-5,10,12,16H,6-9,29H2,1H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283236(4-[2-(4-aminopiperidyl)-1-methyl- 5-(2-methyl(2H-i...)
Show SMILES Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N7O/c1-30-15-19-13-18(7-8-21(19)29-30)22-23(17-5-3-16(14-26)4-6-17)28-25(31(2)24(22)33)32-11-9-20(27)10-12-32/h3-8,13,15,20H,9-12,27H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283237(4-[2-((3R)-3-aminopiperidyl)-5- (3-fluoro-4-methox...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-7-8-20(33-2)19(26)10-14)22(15-5-6-16(12-27)18(25)11-15)29-24(30)31-9-3-4-17(28)13-31/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m1/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283238(4-[2-(4-aminopiperidyl)-5-(5- fluoro-6-methoxy(3-5...)
Show SMILES COc1ncc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H22F2N6O2/c1-30-22(32)19(15-10-18(25)21(33-2)28-12-15)20(13-3-4-14(11-26)17(24)9-13)29-23(30)31-7-5-16(27)6-8-31/h3-4,9-10,12,16H,5-8,27H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283239(4-[2-((3R)-3-aminopyrrolidinyl)- 5-(3-fluoro-4-met...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H21F2N5O2/c1-29-22(31)20(13-5-6-19(32-2)18(25)9-13)21(14-3-4-15(11-26)17(24)10-14)28-23(29)30-8-7-16(27)12-30/h3-6,9-10,16H,7-8,12,27H2,1-2H3/t16-/m1/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283241(4-[2-((3S)-3-amino-piperidin-1- yl)-5-(3-fluoro-4-...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-7-8-20(33-2)19(26)10-14)22(15-5-6-16(12-27)18(25)11-15)29-24(30)31-9-3-4-17(28)13-31/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m0/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283242(4-[2-((3S)-3-amino-pyrrolidin-1-yl)- 5-(3-fluoro-4...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H21F2N5O2/c1-29-22(31)20(13-5-6-19(32-2)18(25)9-13)21(14-3-4-15(11-26)17(24)10-14)28-23(29)30-8-7-16(27)12-30/h3-6,9-10,16H,7-8,12,27H2,1-2H3/t16-/m0/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283243(4-[2-((3R)-3-aminopiperidyl)-5- (4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-29-23(31)21(15-7-9-19(32-2)10-8-15)22(16-5-6-17(13-26)20(25)12-16)28-24(29)30-11-3-4-18(27)14-30/h5-10,12,18H,3-4,11,14,27H2,1-2H3/t18-/m1/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283244(4-[2-((3S)-3-amino-piperidin-1- yl)-5-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC[C@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-29-23(31)21(15-7-9-19(32-2)10-8-15)22(16-5-6-17(13-26)20(25)12-16)28-24(29)30-11-3-4-18(27)14-30/h5-10,12,18H,3-4,11,14,27H2,1-2H3/t18-/m0/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM289889(4-[2-(4-amino-4-methyl-piperidin- 1-yl)-5-(3-fluor...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(C)(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H25F2N5O2/c1-25(29)8-10-32(11-9-25)24-30-22(16-4-5-17(14-28)18(26)13-16)21(23(33)31(24)2)15-6-7-20(34-3)19(27)12-15/h4-7,12-13H,8-11,29H2,1-3H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283247(4-[2-(4-aminopiperidyl)-1-methyl- 5-(1-methyl(1H-i...)
Show SMILES Cn1ncc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N7O/c1-30-24(33)22(18-7-8-21-19(13-18)15-28-31(21)2)23(17-5-3-16(14-26)4-6-17)29-25(30)32-11-9-20(27)10-12-32/h3-8,13,15,20H,9-12,27H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283249(4-{2-(4-amino-piperidin-1-yl)-1- methyl-6-oxo-5-[1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C22H21F4N7O/c1-31-20(34)18(15-10-29-33(11-15)12-22(24,25)26)19(13-2-3-14(9-27)17(23)8-13)30-21(31)32-6-4-16(28)5-7-32/h2-3,8,10-11,16H,4-7,12,28H2,1H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283250(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(1-methy...)
Show SMILES Cn1ncc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN7O/c1-31-24(34)22(15-5-6-21-18(11-15)14-29-32(21)2)23(16-3-4-17(13-27)20(26)12-16)30-25(31)33-9-7-19(28)8-10-33/h3-6,11-12,14,19H,7-10,28H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283251(4-{2-(4-amino-piperidin-1-yl)-1- methyl-6-oxo-5-[1...)
Show SMILES Cn1c(nc(-c2ccc(cc2)C#N)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C22H22F3N7O/c1-30-20(33)18(16-11-28-32(12-16)13-22(23,24)25)19(15-4-2-14(10-26)3-5-15)29-21(30)31-8-6-17(27)7-9-31/h2-5,11-12,17H,6-9,13,27H2,1H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283252(4-[2-(4-aminopiperidyl)-1-methyl- 5-(2-methyl(2H-i...)
Show SMILES Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN7O/c1-31-14-18-11-15(5-6-21(18)30-31)22-23(16-3-4-17(13-27)20(26)12-16)29-25(32(2)24(22)34)33-9-7-19(28)8-10-33/h3-6,11-12,14,19H,7-10,28H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283253(4-[2-(4-aminopiperidyl)-5- (3,5-difluoro-4-methoxy...)
Show SMILES COc1c(F)cc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)20(16-11-18(25)22(33-2)19(26)12-16)21(15-5-3-14(13-27)4-6-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283255(US10023543, Example 40 | US10207999, Example 40 | ...)
Show SMILES CNC(=O)c1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25FN6O2/c1-29-23(33)19-8-7-17(13-20(19)26)21-22(16-5-3-15(14-27)4-6-16)30-25(31(2)24(21)34)32-11-9-18(28)10-12-32/h3-8,13,18H,9-12,28H2,1-2H3,(H,29,33)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283256(4-[2-(4-aminopiperidyl)-6- (4-cyanophenyl)-3-methy...)
Show SMILES Cn1c(nc(-c2ccc(cc2)C#N)c(-c2ccc(C(N)=O)c(F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C24H23FN6O2/c1-30-23(33)20(16-6-7-18(22(28)32)19(25)12-16)21(15-4-2-14(13-26)3-5-15)29-24(30)31-10-8-17(27)9-11-31/h2-7,12,17H,8-11,27H2,1H3,(H2,28,32)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283258(4-[2-(4-amino-piperidin-1-yl)-1- methyl-6-oxo-5-(1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3C(=O)NCc3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H23FN6O2/c1-31-24(34)21(14-4-5-19-17(10-14)13-29-23(19)33)22(15-2-3-16(12-27)20(26)11-15)30-25(31)32-8-6-18(28)7-9-32/h2-5,10-11,18H,6-9,13,28H2,1H3,(H,29,33)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283260(4-{5-(3-fluoro-4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1F)-c1c(nc(NC[C@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(18-7-8-20(32-2)19(25)11-18)22(17-5-3-15(12-26)4-6-17)29-24(30)28-14-16-9-10-27-13-16/h3-8,11,16,27H,9-10,13-14H2,1-2H3,(H,28,29)/t16-/m0/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283261(4-{5-(3-fluoro-4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1F)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(18-7-8-20(32-2)19(25)11-18)22(17-5-3-15(12-26)4-6-17)29-24(30)28-14-16-9-10-27-13-16/h3-8,11,16,27H,9-10,13-14H2,1-2H3,(H,28,29)/t16-/m1/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283263(4-[2-[1,4]diazepan-1-yl-5-(3-fluoro- 4-methoxy-phe...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(15-6-7-20(33-2)19(26)12-15)22(16-4-5-17(14-27)18(25)13-16)29-24(30)31-10-3-8-28-9-11-31/h4-7,12-13,28H,3,8-11H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283264(2-fluoro-4-[5-(3-fluoro- 4-methoxy-phenyl)-1-methy...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H21F2N5O2/c1-29-22(31)20(14-5-6-19(32-2)18(25)11-14)21(15-3-4-16(13-26)17(24)12-15)28-23(29)30-9-7-27-8-10-30/h3-6,11-12,27H,7-10H2,1-2H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283265(4-[5-(3-fluoro-4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1F)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(17-7-8-20(32-2)19(25)13-17)22(16-5-3-15(14-26)4-6-16)29-24(30)28-18-9-11-27-12-10-18/h3-8,13,18,27H,9-12H2,1-2H3,(H,28,29)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283266(4-[2-(4-amino-piperidin-1-yl)- 2'-dimethylamino-1-...)
Show SMILES CN(C)c1ncc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H25FN8O/c1-30(2)22-27-12-16(13-28-22)19-20(14-4-5-15(11-25)18(24)10-14)29-23(31(3)21(19)33)32-8-6-17(26)7-9-32/h4-5,10,12-13,17H,6-9,26H2,1-3H3
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283267(5-[2-(4-amino-piperidin-1-yl)-4- (4-cyano-3-fluoro...)
Show SMILES CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN7O2/c1-28-22(33)19-6-5-16(13-29-19)20-21(14-3-4-15(12-26)18(25)11-14)30-24(31(2)23(20)34)32-9-7-17(27)8-10-32/h3-6,11,13,17H,7-10,27H2,1-2H3,(H,28,33)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283268(2-fluoro-4-{5-(4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1)-c1c(nc(NC[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(16-5-7-19(32-2)8-6-16)22(17-3-4-18(12-26)20(25)11-17)29-24(30)28-14-15-9-10-27-13-15/h3-8,11,15,27H,9-10,13-14H2,1-2H3,(H,28,29)/t15-/m0/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283269(2-fluoro-4-{5-(4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(16-5-7-19(32-2)8-6-16)22(17-3-4-18(12-26)20(25)11-17)29-24(30)28-14-15-9-10-27-13-15/h3-8,11,15,27H,9-10,13-14H2,1-2H3,(H,28,29)/t15-/m1/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283270(2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(15-5-7-19(32-2)8-6-15)22(16-3-4-17(14-26)20(25)13-16)29-24(30)28-18-9-11-27-12-10-18/h3-8,13,18,27H,9-12H2,1-2H3,(H,28,29)
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific histone demethylase 1A(Homo sapiens (Human))
Celgene Quanticel Research Inc

US Patent
LigandPNGBDBM283271(2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...)
Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m0/s1
Affinity DataIC50: 100nMT: 2°CAssay Description:This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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