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Compile Data Set for Download or QSAR

Found 9280 hits of ic50 data for polymerid = 289,5309   
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))		BDBM50551861
PNG
(CHEMBL4798849)
Show SMILES Cn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
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TBA

Assay Description
Inhibition of human recombinant LSD1 using fluorogenic ADHP based substrate preincubated for 30 mins followed by substrate addition measured after 10...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112243
BindingDB Entry DOI: 10.7270/Q20R9T10
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456483
PNG
(US10723742, Example 209 | US10723742, Example 213 ...)
Show SMILES CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
Show InChI InChI=1S/C30H27ClF2N6O2/c1-30(2,41)14-38-28-24(36-37-38)12-21(27(33)26(28)31)19-7-5-16(29(40)39-18-6-8-25(39)23(35)11-18)9-20(19)15-3-4-17(13-34)22(32)10-15/h3-5,7,9-10,12,18,23,25,41H,6,8,11,14,35H2,1-2H3/t18-,23+,25+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456483
PNG
(US10723742, Example 209 | US10723742, Example 213 ...)
Show SMILES CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
Show InChI InChI=1S/C30H27ClF2N6O2/c1-30(2,41)14-38-28-24(36-37-38)12-21(27(33)26(28)31)19-7-5-16(29(40)39-18-6-8-25(39)23(35)11-18)9-20(19)15-3-4-17(13-34)22(32)10-15/h3-5,7,9-10,12,18,23,25,41H,6,8,11,14,35H2,1-2H3/t18-,23+,25+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50551907
PNG
(CHEMBL4762799)
Show SMILES FCCn1c(cc2ccccc12)C(=O)Nc1cccc2CCCN(Cc3ccc(OC4CCNCC4)cc3)c12
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TBA

Assay Description
Inhibition of human recombinant LSD1 using fluorogenic ADHP based substrate preincubated for 30 mins followed by substrate addition measured after 10...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112243
BindingDB Entry DOI: 10.7270/Q20R9T10
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581928
PNG
(US11510915, Example 283)
Show SMILES Cc1ccc(c(F)c1)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:12:13:16.15:18.20|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456491
PNG
(US10723742, Example 218 | US10723742, Example 221 ...)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
Show InChI InChI=1S/C32H31ClF2N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(29(35)28(30)33)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(34)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456491
PNG
(US10723742, Example 218 | US10723742, Example 221 ...)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
Show InChI InChI=1S/C32H31ClF2N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(29(35)28(30)33)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(34)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581933
PNG
(US11510915, Example 288)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:22:23:26.25:28.30|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581938
PNG
(US11510915, Example 293)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:22:23:26.25:28.30|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456476
PNG
(US10723742, Example 202 | US11510915, Example 202)
Show SMILES Cc1noc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:34:33:31.30:28|
Show InChI InChI=1S/C28H22F2N4O2/c1-14-20-11-24(30)22(12-27(20)36-33-14)19-6-4-16(28(35)34-18-5-7-26(34)25(32)10-18)8-21(19)15-2-3-17(13-31)23(29)9-15/h2-4,6,8-9,11-12,18,25-26H,5,7,10,32H2,1H3/t18-,25+,26+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456476
PNG
(US10723742, Example 202 | US11510915, Example 202)
Show SMILES Cc1noc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:34:33:31.30:28|
Show InChI InChI=1S/C28H22F2N4O2/c1-14-20-11-24(30)22(12-27(20)36-33-14)19-6-4-16(28(35)34-18-5-7-26(34)25(32)10-18)8-21(19)15-2-3-17(13-31)23(29)9-15/h2-4,6,8-9,11-12,18,25-26H,5,7,10,32H2,1H3/t18-,25+,26+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581930
PNG
(US11510915, Example 285)
Show SMILES CC(C)(O)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:20:21:24.23:26.28|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581931
PNG
(US11510915, Example 286)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:8:7:5.4:1.2|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581932
PNG
(US11510915, Example 287)
Show SMILES CC(C)(O)Cn1ncc2cc(c(F)cc12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:19:20:23.22:25.27|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456487
PNG
(US10723742, Example 214 | US10723742, Example 217 ...)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
Show InChI InChI=1S/C32H31F3N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(28(34)29(30)35)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(33)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456492
PNG
(US10723742, Example 219 | US11510915, Example 219)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Show InChI InChI=1S/C30H29ClF2N6O2/c1-3-30(41,4-2)16-39-28-25(36-37-39)13-23(27(33)26(28)31)21-8-7-18(29(40)38-10-9-20(35)15-38)11-22(21)17-5-6-19(14-34)24(32)12-17/h5-8,11-13,20,41H,3-4,9-10,15-16,35H2,1-2H3/t20-/m0/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456492
PNG
(US10723742, Example 219 | US11510915, Example 219)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@H](N)C1
Show InChI InChI=1S/C30H29ClF2N6O2/c1-3-30(41,4-2)16-39-28-25(36-37-39)13-23(27(33)26(28)31)21-8-7-18(29(40)38-10-9-20(35)15-38)11-22(21)17-5-6-19(14-34)24(32)12-17/h5-8,11-13,20,41H,3-4,9-10,15-16,35H2,1-2H3/t20-/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50551904
PNG
(CHEMBL4785635)
Show SMILES CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@H]2CCNC2)cc1 |r|
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TBA

Assay Description
Inhibition of human recombinant LSD1 using fluorogenic ADHP based substrate preincubated for 30 mins followed by substrate addition measured after 10...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112243
BindingDB Entry DOI: 10.7270/Q20R9T10
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456487
PNG
(US10723742, Example 214 | US10723742, Example 217 ...)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:41:40:38.37:35|
Show InChI InChI=1S/C32H31F3N6O2/c1-3-32(43,4-2)16-40-30-26(38-39-40)14-23(28(34)29(30)35)21-9-7-18(31(42)41-20-8-10-27(41)25(37)13-20)11-22(21)17-5-6-19(15-36)24(33)12-17/h5-7,9,11-12,14,20,25,27,43H,3-4,8,10,13,16,37H2,1-2H3/t20-,25+,27+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50540648
PNG
(CHEMBL4639944)
Show SMILES Cn1c(cc2sccc12)-c1nc(cn1CCCc1ccc(OC2CCNCC2)cc1)C1CCC1
Show InChI InChI=1S/C28H34N4OS/c1-31-25-13-17-34-27(25)18-26(31)28-30-24(21-5-2-6-21)19-32(28)16-3-4-20-7-9-22(10-8-20)33-23-11-14-29-15-12-23/h7-10,13,17-19,21,23,29H,2-6,11-12,14-16H2,1H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay

ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456471
PNG
(US10723742, Example 197 | US11510915, Example 197)
Show SMILES CC(C)(O)Cn1ncc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
Show InChI InChI=1S/C30H28F3N5O2/c1-29(2,40)15-38-27-20(14-36-38)11-23(25(32)26(27)33)21-7-6-18(28(39)37-9-8-30(3,35)16-37)10-22(21)17-4-5-19(13-34)24(31)12-17/h4-7,10-12,14,40H,8-9,15-16,35H2,1-3H3/t30-/m0/s1
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456500
PNG
(US10723742, Example 228 | US10723742, Example 241 ...)
Show SMILES Cc1c(F)c(cc2nnn(CC(C)(C)O)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
Show InChI InChI=1S/C31H30F2N6O2/c1-16-28(33)23(13-26-29(16)38(37-36-26)15-31(2,3)41)21-8-6-18(30(40)39-20-7-9-27(39)25(35)12-20)10-22(21)17-4-5-19(14-34)24(32)11-17/h4-6,8,10-11,13,20,25,27,41H,7,9,12,15,35H2,1-3H3/t20-,25+,27+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456471
PNG
(US10723742, Example 197 | US11510915, Example 197)
Show SMILES CC(C)(O)Cn1ncc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1CC[C@](C)(N)C1
Show InChI InChI=1S/C30H28F3N5O2/c1-29(2,40)15-38-27-20(14-36-38)11-23(25(32)26(27)33)21-7-6-18(28(39)37-9-8-30(3,35)16-37)10-22(21)17-4-5-19(13-34)24(31)12-17/h4-7,10-12,14,40H,8-9,15-16,35H2,1-3H3/t30-/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456500
PNG
(US10723742, Example 228 | US10723742, Example 241 ...)
Show SMILES Cc1c(F)c(cc2nnn(CC(C)(C)O)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
Show InChI InChI=1S/C31H30F2N6O2/c1-16-28(33)23(13-26-29(16)38(37-36-26)15-31(2,3)41)21-8-6-18(30(40)39-20-7-9-27(39)25(35)12-20)10-22(21)17-4-5-19(14-34)24(32)11-17/h4-6,8,10-11,13,20,25,27,41H,7,9,12,15,35H2,1-3H3/t20-,25+,27+/m1/s1
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456528
PNG
(US10723742, Example 257 | US10723742, Example 269 ...)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
Show InChI InChI=1S/C31H27ClF2N6O2/c32-27-28(34)22(13-25-29(27)39(38-37-25)15-31(42)8-1-9-31)20-6-4-17(30(41)40-19-5-7-26(40)24(36)12-19)10-21(20)16-2-3-18(14-35)23(33)11-16/h2-4,6,10-11,13,19,24,26,42H,1,5,7-9,12,15,36H2/t19-,24+,26+/m1/s1
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456493
PNG
(US10723742, Example 220 | US11510915, Example 220)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:42:41:37.38:35|
Show InChI InChI=1S/C33H33ClF2N6O2/c1-3-33(44,4-2)17-41-31-28(39-40-41)15-26(30(36)29(31)34)24-10-7-19(11-25(24)18-5-6-20(16-37)27(35)12-18)32(43)42-22-8-9-23(42)14-21(38)13-22/h5-7,10-12,15,21-23,44H,3-4,8-9,13-14,17,38H2,1-2H3
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456528
PNG
(US10723742, Example 257 | US10723742, Example 269 ...)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
Show InChI InChI=1S/C31H27ClF2N6O2/c32-27-28(34)22(13-25-29(27)39(38-37-25)15-31(42)8-1-9-31)20-6-4-17(30(41)40-19-5-7-26(40)24(36)12-19)10-21(20)16-2-3-18(14-35)23(33)11-16/h2-4,6,10-11,13,19,24,26,42H,1,5,7-9,12,15,36H2/t19-,24+,26+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456304
PNG
(US10723742, Example 123 | US10723742, Example 23 |...)
Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456493
PNG
(US10723742, Example 220 | US11510915, Example 220)
Show SMILES CCC(O)(CC)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:42:41:37.38:35|
Show InChI InChI=1S/C33H33ClF2N6O2/c1-3-33(44,4-2)17-41-31-28(39-40-41)15-26(30(36)29(31)34)24-10-7-19(11-25(24)18-5-6-20(16-37)27(35)12-18)32(43)42-22-8-9-23(42)14-21(38)13-22/h5-7,10-12,15,21-23,44H,3-4,8-9,13-14,17,38H2,1-2H3
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456304
PNG
(US10723742, Example 123 | US10723742, Example 23 |...)
Show SMILES Cn1ccc2cc(c(F)cc12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:35:34:30.31:28|
Show InChI InChI=1S/C30H26F2N4O/c1-35-9-8-18-10-26(28(32)15-29(18)35)24-7-4-19(11-25(24)17-2-3-20(16-33)27(31)12-17)30(37)36-22-5-6-23(36)14-21(34)13-22/h2-4,7-12,15,21-23H,5-6,13-14,34H2,1H3
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456525
PNG
(US10723742, Example 254 | US10723742, Example 268 ...)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(F)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
Show InChI InChI=1S/C31H27F3N6O2/c32-23-11-16(2-3-18(23)14-35)21-10-17(30(41)40-19-5-7-26(40)24(36)12-19)4-6-20(21)22-13-25-29(28(34)27(22)33)39(38-37-25)15-31(42)8-1-9-31/h2-4,6,10-11,13,19,24,26,42H,1,5,7-9,12,15,36H2/t19-,24+,26+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456529
PNG
(US10723742, Example 258 | US11510915, Example 258)
Show SMILES N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C29H25ClF2N6O2/c30-25-26(32)22(12-24-27(25)38(36-35-24)15-29(40)7-1-8-29)20-5-4-17(28(39)37-9-6-19(34)14-37)10-21(20)16-2-3-18(13-33)23(31)11-16/h2-5,10-12,19,40H,1,6-9,14-15,34H2/t19-/m0/s1
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456529
PNG
(US10723742, Example 258 | US11510915, Example 258)
Show SMILES N[C@H]1CCN(C1)C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C29H25ClF2N6O2/c30-25-26(32)22(12-24-27(25)38(36-35-24)15-29(40)7-1-8-29)20-5-4-17(28(39)37-9-6-19(34)14-37)10-21(20)16-2-3-18(13-33)23(31)11-16/h2-5,10-12,19,40H,1,6-9,14-15,34H2/t19-/m0/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50540643
PNG
(CHEMBL4639941)
Show SMILES CCCc1cn(CCCc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C28H36N4OS/c1-3-6-22-20-32(28(30-22)26-19-27-25(31(26)2)14-18-34-27)17-5-7-21-9-11-24(12-10-21)33-23-8-4-15-29-16-13-23/h9-12,14,18-20,23,29H,3-8,13,15-17H2,1-2H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay

ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456525
PNG
(US10723742, Example 254 | US10723742, Example 268 ...)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(F)c2F)c(c1)-c1ccc(C#N)c(F)c1 |THB:0:1:5.4:7|
Show InChI InChI=1S/C31H27F3N6O2/c32-23-11-16(2-3-18(23)14-35)21-10-17(30(41)40-19-5-7-26(40)24(36)12-19)4-6-20(21)22-13-25-29(28(34)27(22)33)39(38-37-25)15-31(42)8-1-9-31/h2-4,6,10-11,13,19,24,26,42H,1,5,7-9,12,15,36H2/t19-,24+,26+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50540639
PNG
(CHEMBL4632810)
Show SMILES CCCc1cn(CCOc2ccc(OC3CCCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C27H34N4O2S/c1-3-5-20-19-31(27(29-20)25-18-26-24(30(25)2)12-17-34-26)15-16-32-21-7-9-23(10-8-21)33-22-6-4-13-28-14-11-22/h7-10,12,17-19,22,28H,3-6,11,13-16H2,1-2H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay

ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581904
PNG
(US11510915, Example 259)
Show SMILES NC1CC2CCC(C1)N2C(=O)c1ccc(-c2cc3nnn(CC4(O)CCC4)c3c(Cl)c2F)c(c1)-c1ccc(C#N)c(F)c1 |TLB:9:8:4.5:1.2.7|
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456531
PNG
(US10723742, Example 260 | US10723742, Example 263 ...)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7|
Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM581939
PNG
(US11510915, Example 294)
Show SMILES CC(C)(O)Cn1nnc2cc(c(F)c(Br)c12)-c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](N)C3)cc1-c1ccc(C#N)c(F)c1 |THB:20:21:24.23:26.28|
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50594947
PNG
(ORY-2001 | VAFIDEMSTAT | Vafidemstat)
Show SMILES Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114143
BindingDB Entry DOI: 10.7270/Q28W3J9V
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456449
PNG
(US10723742, Example 175 | US10723742, Example 185 ...)
Show SMILES Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:35:34:32.31:29|
Show InChI InChI=1S/C27H21F3N6O/c1-35-26-22(33-34-35)11-19(24(29)25(26)30)17-6-4-14(27(37)36-16-5-7-23(36)21(32)10-16)8-18(17)13-2-3-15(12-31)20(28)9-13/h2-4,6,8-9,11,16,21,23H,5,7,10,32H2,1H3/t16-,21+,23+/m1/s1
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Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456470
PNG
(US10723742, Example 196 | US11510915, Example 196)
Show SMILES CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
Show InChI InChI=1S/C32H29F3N4O2/c1-32(2,41)16-38-10-9-18-11-24(28(34)29(35)30(18)38)22-7-5-19(31(40)39-21-6-8-27(39)26(37)14-21)12-23(22)17-3-4-20(15-36)25(33)13-17/h3-5,7,9-13,21,26-27,41H,6,8,14,16,37H2,1-2H3/t21-,26+,27+/m1/s1
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456531
PNG
(US10723742, Example 260 | US10723742, Example 263 ...)
Show SMILES N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(c(c1)-c1ccc(C#N)c(F)c1)-c1cc2nnn(CC3(O)CCC3)c2c(C(F)F)c1F |THB:0:1:5.4:7|
Show InChI InChI=1S/C32H28F4N6O2/c33-23-11-16(2-3-18(23)14-37)21-10-17(31(43)42-19-5-7-26(42)24(38)12-19)4-6-20(21)22-13-25-29(27(28(22)34)30(35)36)41(40-39-25)15-32(44)8-1-9-32/h2-4,6,10-11,13,19,24,26,30,44H,1,5,7-9,12,15,38H2/t19-,24+,26+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM50540640
PNG
(CHEMBL4641768)
Show SMILES CCCc1cn(CCCc2ccc(OCC3CCNCC3)cc2)c(n1)-c1cc2sccc2n1C
Show InChI InChI=1S/C28H36N4OS/c1-3-5-23-19-32(28(30-23)26-18-27-25(31(26)2)13-17-34-27)16-4-6-21-7-9-24(10-8-21)33-20-22-11-14-29-15-12-22/h7-10,13,17-19,22,29H,3-6,11-12,14-16,20H2,1-2H3
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European Institute of Oncology IRCCS

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 expressed in Escherichia coli using biotinylated H3K4me as substrate by TR-FRET assay

ACS Med Chem Lett 11: 754-759 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00604
BindingDB Entry DOI: 10.7270/Q22J6GFN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM254603
PNG
(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
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TBA

Assay Description
Inhibition of LSD1 (unknown origin)

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127993
BindingDB Entry DOI: 10.7270/Q2RB78CS
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456449
PNG
(US10723742, Example 175 | US10723742, Example 185 ...)
Show SMILES Cn1nnc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:35:34:32.31:29|
Show InChI InChI=1S/C27H21F3N6O/c1-35-26-22(33-34-35)11-19(24(29)25(26)30)17-6-4-14(27(37)36-16-5-7-23(36)21(32)10-16)8-18(17)13-2-3-15(12-31)20(28)9-13/h2-4,6,8-9,11,16,21,23H,5,7,10,32H2,1H3/t16-,21+,23+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456470
PNG
(US10723742, Example 196 | US11510915, Example 196)
Show SMILES CC(C)(O)Cn1ccc2cc(c(F)c(F)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1[C@@H]2CC[C@H]1[C@@H](N)C2 |TLB:39:38:36.35:33|
Show InChI InChI=1S/C32H29F3N4O2/c1-32(2,41)16-38-10-9-18-11-24(28(34)29(35)30(18)38)22-7-5-19(31(40)39-21-6-8-27(39)26(37)14-21)12-23(22)17-3-4-20(15-36)25(33)13-17/h3-5,7,9-13,21,26-27,41H,6,8,14,16,37H2,1-2H3/t21-,26+,27+/m1/s1
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456485
PNG
(US10723742, Example 211 | US11510915, Example 211)
Show SMILES CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
Show InChI InChI=1S/C31H29ClF2N6O2/c1-31(2,42)15-39-29-26(37-38-39)13-24(28(34)27(29)32)22-8-5-17(9-23(22)16-3-4-18(14-35)25(33)10-16)30(41)40-20-6-7-21(40)12-19(36)11-20/h3-5,8-10,13,19-21,42H,6-7,11-12,15,36H2,1-2H3
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456530
PNG
(US10723742, Example 259 | US10723742, Example 272 ...)
Show SMILES Cc1c(F)c(cc2nnn(CC3(O)CCC3)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:41:40:36.37:34|
Show InChI InChI=1S/C33H32F2N6O2/c1-18-30(35)27(15-29-31(18)40(39-38-29)17-33(43)9-2-10-33)25-8-5-20(11-26(25)19-3-4-21(16-36)28(34)12-19)32(42)41-23-6-7-24(41)14-22(37)13-23/h3-5,8,11-12,15,22-24,43H,2,6-7,9-10,13-14,17,37H2,1H3
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Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

US Patent US10723742 (2020)


BindingDB Entry DOI: 10.7270/Q2TF01DB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))		BDBM456485
PNG
(US10723742, Example 211 | US11510915, Example 211)
Show SMILES CC(C)(O)Cn1nnc2cc(c(F)c(Cl)c12)-c1ccc(cc1-c1ccc(C#N)c(F)c1)C(=O)N1C2CCC1CC(N)C2 |THB:40:39:35.36:33|
Show InChI InChI=1S/C31H29ClF2N6O2/c1-31(2,42)15-39-29-26(37-38-39)13-24(28(34)27(29)32)22-8-5-17(9-23(22)16-3-4-18(14-35)25(33)10-16)30(41)40-20-6-7-21(40)12-19(36)11-20/h3-5,8-10,13,19-21,42H,6-7,11-12,15,36H2,1-2H3
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TBA

Assay Description
The conditions for measuring inhibitory activity of compounds against LSD1 activity were determined with reference to a document available from the w...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2NC6513
More data for this
Ligand-Target Pair
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