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Patent code US10100046

Compile Data Set for Download or QSAR
Found 31 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))
BDBM292067
PNG
(US10100046, Example 2 | cis-4-(2-{decahydropyrrolo...)
Show SMILES Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C26H26N6S/c1-31-23-7-6-19(12-22(23)16-29-31)25-24(18-4-2-17(13-27)3-5-18)30-26(33-25)32-10-8-20-14-28-15-21(20)9-11-32/h2-7,12,16,20-21,28H,8-11,14-15H2,1H3/t20-,21+
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292090
PNG
(4-[4-(1,2,3,3a,4,6,7,7a- octahydropyrrolo[3,4-c]py...)
Show SMILES Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2CNCC2C1
Show InChI InChI=1S/C27H26FN5O/c28-24-11-19(3-4-20(24)13-29)27-31-25(32-10-9-21-14-30-15-22(21)16-32)12-26(34)33(27)23-7-5-18(6-8-23)17-1-2-17/h3-8,11-12,17,21-22,30H,1-2,9-10,14-16H2
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292070
PNG
(4-(2-{2,8-diazaspiro[4.5]decan-8-yl}-5-(1- methyl-...)
Show SMILES Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C26H26N6S/c1-31-22-7-6-20(14-21(22)16-29-31)24-23(19-4-2-18(15-27)3-5-19)30-25(33-24)32-12-9-26(10-13-32)8-11-28-17-26/h2-7,14,16,28H,8-13,17H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292083
PNG
(4-[2-(4-aminopiperidine-1-carbonyl)-5-(1- methyl-1...)
Show SMILES Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC(N)CC1
Show InChI InChI=1S/C24H22N6OS/c1-29-14-27-19-12-17(6-7-20(19)29)22-21(16-4-2-15(13-25)3-5-16)28-23(32-22)24(31)30-10-8-18(26)9-11-30/h2-7,12,14,18H,8-11,26H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292088
PNG
(4-[4-(4-aminopiperidin-1-yl)-1-(4- cyclopropylphen...)
Show SMILES NC1CCN(CC1)c1cc(=O)n(-c2ccc(cc2)C2CC2)c(n1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O/c26-22-13-18(3-4-19(22)15-27)25-29-23(30-11-9-20(28)10-12-30)14-24(32)31(25)21-7-5-17(6-8-21)16-1-2-16/h3-8,13-14,16,20H,1-2,9-12,28H2
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292092
PNG
(4-[4-(4-aminopiperidin-1-yl)-1-(3-fluoro-4- methox...)
Show SMILES COc1ccc(cc1F)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H21F2N5O2/c1-32-20-5-4-17(11-19(20)25)30-22(31)12-21(29-8-6-16(27)7-9-29)28-23(30)14-2-3-15(13-26)18(24)10-14/h2-5,10-12,16H,6-9,27H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292094
PNG
(4-[4-(4-aminopiperidin-1-yl)-1-(4- methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H22FN5O2/c1-31-19-6-4-18(5-7-19)29-22(30)13-21(28-10-8-17(26)9-11-28)27-23(29)15-2-3-16(14-25)20(24)12-15/h2-7,12-13,17H,8-11,26H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292071
PNG
(4-[5-(1-methyl-1H-indazol-5-yl)-2- {octahydro-1H-p...)
Show SMILES Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2NCCC2C1
Show InChI InChI=1S/C25H24N6S/c1-30-22-7-6-18(12-20(22)14-28-30)24-23(17-4-2-16(13-26)3-5-17)29-25(32-24)31-11-9-21-19(15-31)8-10-27-21/h2-7,12,14,19,21,27H,8-11,15H2,1H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292069
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-{1-methyl- 1H-pyraz...)
Show SMILES Cn1ncc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Show InChI InChI=1S/C22H21N7S/c1-28-21-17(13-26-28)10-16(12-25-21)20-19(15-4-2-14(11-23)3-5-15)27-22(30-20)29-8-6-18(24)7-9-29/h2-5,10,12-13,18H,6-9,24H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292077
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-[1-(2,2,2- trifluor...)
Show SMILES NC1CCN(CC1)c1nc(c(s1)-c1cnn(CC(F)(F)F)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H19F3N6S/c21-20(22,23)12-29-11-15(10-26-29)18-17(14-3-1-13(9-24)2-4-14)27-19(30-18)28-7-5-16(25)6-8-28/h1-4,10-11,16H,5-8,12,25H2
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292081
PNG
(4-{2-[(3R)-3-aminopiperidine-1-carbonyl]- 5-(1-met...)
Show SMILES Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C24H22N6OS/c1-29-14-27-19-11-17(8-9-20(19)29)22-21(16-6-4-15(12-25)5-7-16)28-23(32-22)24(31)30-10-2-3-18(26)13-30/h4-9,11,14,18H,2-3,10,13,26H2,1H3/t18-/m1/s1
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292091
PNG
(4-[1-(4-cyclopropylphenyl)-4-(2,8- diazaspiro[4.5]...)
Show SMILES Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C28H28FN5O/c29-24-15-21(3-4-22(24)17-30)27-32-25(33-13-10-28(11-14-33)9-12-31-18-28)16-26(35)34(27)23-7-5-20(6-8-23)19-1-2-19/h3-8,15-16,19,31H,1-2,9-14,18H2
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292093
PNG
(4-[4-(4-aminopiperidin-1-yl)-1-(2- methylindazol-5...)
Show SMILES Cn1cc2cc(ccc2n1)-n1c(nc(cc1=O)N1CCC(N)CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H22FN7O/c1-30-14-17-10-19(4-5-21(17)29-30)32-23(33)12-22(31-8-6-18(27)7-9-31)28-24(32)15-2-3-16(13-26)20(25)11-15/h2-5,10-12,14,18H,6-9,27H2,1H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292095
PNG
(4-[4-(4-aminopiperidin-1-yl)-1-(4- cyclopropyl-3-f...)
Show SMILES NC1CCN(CC1)c1cc(=O)n(-c2ccc(C3CC3)c(F)c2)c(n1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H23F2N5O/c26-21-11-16(3-4-17(21)14-28)25-30-23(31-9-7-18(29)8-10-31)13-24(33)32(25)19-5-6-20(15-1-2-15)22(27)12-19/h3-6,11-13,15,18H,1-2,7-10,29H2
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292073
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-(1-methyl- 1H-1,3-b...)
Show SMILES Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Show InChI InChI=1S/C22H21N7S/c1-28-13-26-18-10-16(12-25-21(18)28)20-19(15-4-2-14(11-23)3-5-15)27-22(30-20)29-8-6-17(24)7-9-29/h2-5,10,12-13,17H,6-9,24H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292073
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-(1-methyl- 1H-1,3-b...)
Show SMILES Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Show InChI InChI=1S/C22H21N7S/c1-28-13-26-18-10-16(12-25-21(18)28)20-19(15-4-2-14(11-23)3-5-15)27-22(30-20)29-8-6-17(24)7-9-29/h2-5,10,12-13,17H,6-9,24H2,1H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292079
PNG
(4-[2-(4-aminopiperidin-1-yl-5[1- (cyclopropylmethy...)
Show SMILES NC1CCN(CC1)c1nc(c(s1)-c1cnn(CC2CC2)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H24N6S/c23-11-15-3-5-17(6-4-15)20-21(18-12-25-28(14-18)13-16-1-2-16)29-22(26-20)27-9-7-19(24)8-10-27/h3-6,12,14,16,19H,1-2,7-10,13,24H2
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292084
PNG
(4-{2-[(3R)-3-aminopiperidine-1-carbonyl]- 5-(4-met...)
Show SMILES Cc1ccc(cc1)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H22N4OS/c1-15-4-8-18(9-5-15)21-20(17-10-6-16(13-24)7-11-17)26-22(29-21)23(28)27-12-2-3-19(25)14-27/h4-11,19H,2-3,12,14,25H2,1H3/t19-/m1/s1
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292085
PNG
(4-{2-[(3R)-3-aminopiperidine-1-carbonyl]- 5-{3-met...)
Show SMILES Cn1cnc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C23H21N7OS/c1-29-13-27-18-9-16(11-26-21(18)29)20-19(15-6-4-14(10-24)5-7-15)28-22(32-20)23(31)30-8-2-3-17(25)12-30/h4-7,9,11,13,17H,2-3,8,12,25H2,1H3/t17-/m1/s1
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292096
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-{2-methyl-2H-indazo...)
Show SMILES Cn1cc2cc(ccc2n1)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Show InChI InChI=1S/C23H22N6S/c1-28-14-18-12-17(6-7-20(18)27-28)22-21(16-4-2-15(13-24)3-5-16)26-23(30-22)29-10-8-19(25)9-11-29/h2-7,12,14,19H,8-11,25H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292066
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-(1-methyl- 1H-indaz...)
Show SMILES Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Show InChI InChI=1S/C23H22N6S/c1-28-20-7-6-17(12-18(20)14-26-28)22-21(16-4-2-15(13-24)3-5-16)27-23(30-22)29-10-8-19(25)9-11-29/h2-7,12,14,19H,8-11,25H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292068
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-{1-methyl- 1H-pyrro...)
Show SMILES Cn1ccc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC(N)CC1
Show InChI InChI=1S/C23H22N6S/c1-28-9-6-17-12-18(14-26-22(17)28)21-20(16-4-2-15(13-24)3-5-16)27-23(30-21)29-10-7-19(25)8-11-29/h2-6,9,12,14,19H,7-8,10-11,25H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292072
PNG
(4-[5-(1-methyl-1H-indazol-5-yl)-2- {octahydro-1H-p...)
Show SMILES Cn1ncc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CCC2CNCC2C1
Show InChI InChI=1S/C25H24N6S/c1-30-22-7-6-18(10-20(22)14-28-30)24-23(17-4-2-16(11-26)3-5-17)29-25(32-24)31-9-8-19-12-27-13-21(19)15-31/h2-7,10,14,19,21,27H,8-9,12-13,15H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292078
PNG
(4-(2-{decahydropyrrolo[3,4-d]azepin-6-yl}- 5-[1-(2...)
Show SMILES FC(F)(F)Cn1cc(cn1)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C23H23F3N6S/c24-23(25,26)14-32-13-19(12-29-32)21-20(16-3-1-15(9-27)2-4-16)30-22(33-21)31-7-5-17-10-28-11-18(17)6-8-31/h1-4,12-13,17-18,28H,5-8,10-11,14H2/t17-,18+
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292082
PNG
(4-{2-[(3S)-3-aminopiperidine-1-carbonyl]- 5-(1-met...)
Show SMILES Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)C(=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C24H22N6OS/c1-29-14-27-19-11-17(8-9-20(19)29)22-21(16-6-4-15(12-25)5-7-16)28-23(32-22)24(31)30-10-2-3-18(26)13-30/h4-9,11,14,18H,2-3,10,13,26H2,1H3/t18-/m0/s1
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292075
PNG
(US10100046, Example 10 | cis-4-(2-{decahydropyrrol...)
Show SMILES Cn1cnc2cc(ccc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C26H26N6S/c1-31-16-29-22-12-19(6-7-23(22)31)25-24(18-4-2-17(13-27)3-5-18)30-26(33-25)32-10-8-20-14-28-15-21(20)9-11-32/h2-7,12,16,20-21,28H,8-11,14-15H2,1H3/t20-,21+
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292076
PNG
(US10100046, Example 11 | cis-4-(2-{decahydropyrrol...)
Show SMILES Cn1ncc2cc(cnc12)-c1sc(nc1-c1ccc(cc1)C#N)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C25H25N7S/c1-31-24-21(15-29-31)10-20(14-28-24)23-22(17-4-2-16(11-26)3-5-17)30-25(33-23)32-8-6-18-12-27-13-19(18)7-9-32/h2-5,10,14-15,18-19,27H,6-9,12-13H2,1H3/t18-,19+
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292080
PNG
(4-{5-[1-(cyclopropylmethyl)-1H-pyrazol-4- yl]-2-{d...)
Show SMILES N#Cc1ccc(cc1)-c1nc(sc1-c1cnn(CC2CC2)c1)N1CC[C@@H]2CNC[C@@H]2CC1
Show InChI InChI=1S/C25H28N6S/c26-11-17-3-5-19(6-4-17)23-24(22-14-28-31(16-22)15-18-1-2-18)32-25(29-23)30-9-7-20-12-27-13-21(20)8-10-30/h3-6,14,16,18,20-21,27H,1-2,7-10,12-13,15H2/t20-,21+
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292086
PNG
(4-{2-[(3R)-3-aminopiperidine-1-carbonyl]- 5-[1-(2,...)
Show SMILES N[C@@H]1CCCN(C1)C(=O)c1nc(c(s1)-c1cnn(CC(F)(F)F)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H19F3N6OS/c22-21(23,24)12-30-10-15(9-27-30)18-17(14-5-3-13(8-25)4-6-14)28-19(32-18)20(31)29-7-1-2-16(26)11-29/h3-6,9-10,16H,1-2,7,11-12,26H2/t16-/m1/s1
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292087
PNG
(4-{2-[(3R)-3-aminopiperidine-1-carbonyl]- 5-[1-(cy...)
Show SMILES N[C@@H]1CCCN(C1)C(=O)c1nc(c(s1)-c1cnn(CC2CC2)c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6OS/c24-10-15-5-7-17(8-6-15)20-21(18-11-26-29(13-18)12-16-3-4-16)31-22(27-20)23(30)28-9-1-2-19(25)14-28/h5-8,11,13,16,19H,1-4,9,12,14,25H2/t19-/m1/s1
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM292089
PNG
(4-[4-(1,2,3,3a,4,6,7,7a- octahydropyrrolo[3,2-c]py...)
Show SMILES Fc1cc(ccc1C#N)-c1nc(cc(=O)n1-c1ccc(cc1)C1CC1)N1CCC2NCCC2C1
Show InChI InChI=1S/C27H26FN5O/c28-23-13-19(3-4-20(23)15-29)27-31-25(32-12-10-24-21(16-32)9-11-30-24)14-26(34)33(27)22-7-5-18(6-8-22)17-1-2-17/h3-8,13-14,17,21,24,30H,1-2,9-12,16H2
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10100046 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%