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Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'bearss' and Initial = 'dj'   
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))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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14n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 1 ...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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32n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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35n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 3 ...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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35n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 30...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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55n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant full-length His6-tagged LSD1 (unknown origin) using dimethylated K4N-terminal H3 peptide as substrate at 10...


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50382425
PNG
(CHEMBL2022968)
Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
Show InChI InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM214693
PNG
(US9296703, 1)
Show SMILES Oc1cc(Nc2ncc(Cl)c(n2)-c2cccc(NC(=O)C=C)c2)ccc1N1CCOCC1
Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(31)26-16-5-3-4-15(12-16)22-18(24)14-25-23(28-22)27-17-6-7-19(20(30)13-17)29-8-10-32-11-9-29/h2-7,12-14,30H,1,8-11H2,(H,26,31)(H,25,27,28)
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n/an/a 4n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...


US Patent US9296703 (2016)


BindingDB Entry DOI: 10.7270/Q2Q81BW2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM27917
PNG
(4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylp...)
Show SMILES CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O/c1-17-5-7-29(8-6-17)22-14-19(28-11-9-27(2)10-12-28)3-4-20(22)26-23(30)21-13-18(15-24)16-25-21/h3-4,13-14,16-17,25H,5-12H2,1-2H3,(H,26,30)
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n/an/a 6.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50382425
PNG
(CHEMBL2022968)
Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
Show InChI InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151617
PNG
(US8987335, 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151617
PNG
(US8987335, 18)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)N\N=C(/C)c1cc(Cl)ccc1O
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)/b19-11+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151608
PNG
(US8987335, 9 | US9555024, 9)
Show SMILES Oc1ccccc1C(=O)NNC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H18FN3O6S/c19-15-6-5-12(29(26,27)22-7-9-28-10-8-22)11-14(15)18(25)21-20-17(24)13-3-1-2-4-16(13)23/h1-6,11,23H,7-10H2,(H,20,24)(H,21,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445346
PNG
(CHEMBL3104250)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)
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n/an/a 13n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445347
PNG
(CHEMBL3104252)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)C(=O)NN=C(C)c1cc(Cl)ccc1O |w:15.15|
Show InChI InChI=1S/C17H18ClN3O4S/c1-11(15-10-13(18)7-8-16(15)22)19-20-17(23)12-5-4-6-14(9-12)26(24,25)21(2)3/h4-10,22H,1-3H3,(H,20,23)
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n/an/a 14n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382441
PNG
(CHEMBL2023349)
Show SMILES Nc1nc(Nc2ccc3CCC(CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1
Show InChI InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM28031
PNG
(BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...)
Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mer kinase


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382443
PNG
(CHEMBL2023351)
Show SMILES COc1cc2c(Oc3cc(NS(=O)(=O)c4cc(F)ccc4F)ccc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C31H32F3N3O5S/c1-20-9-13-37(14-10-20)12-3-15-41-30-19-26-23(18-29(30)40-2)27(8-11-35-26)42-28-17-22(5-7-24(28)33)36-43(38,39)31-16-21(32)4-6-25(31)34/h4-8,11,16-20,36H,3,9-10,12-15H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445348
PNG
(CHEMBL3104350)
Show SMILES CC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1O |w:2.2|
Show InChI InChI=1S/C19H21N3O5S/c1-14(17-7-2-3-8-18(17)23)20-21-19(24)15-5-4-6-16(13-15)28(25,26)22-9-11-27-12-10-22/h2-8,13,23H,9-12H2,1H3,(H,21,24)
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n/an/a 19n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382414
PNG
(CHEMBL2022975)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
Show InChI InChI=1S/C26H32ClN7O2S/c1-32-14-16-33(17-15-32)19-20-8-10-21(11-9-20)29-26-28-18-22(27)25(31-26)30-23-6-2-3-7-24(23)37(35,36)34-12-4-5-13-34/h2-3,6-11,18H,4-5,12-17,19H2,1H3,(H2,28,29,30,31)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445366
PNG
(CHEMBL3104342)
Show SMILES COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-10-12-26(13-11-25)23(27)16-24-22-15-21(22)18-8-6-17(7-9-18)19-4-3-5-20(14-19)28-2/h3-9,14,21-22,24H,10-13,15-16H2,1-2H3/t21-,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382425
PNG
(CHEMBL2022968)
Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
Show InChI InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151623
PNG
(US8987335, 24)
Show SMILES C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(13-6-11(16)3-4-14(13)20)18-19-15(21)10-5-12(8-17-7-10)24(2,22)23/h3-8,20H,1-2H3,(H,19,21)/b18-9+
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n/an/a 28n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151623
PNG
(US8987335, 24)
Show SMILES C\C(=N/NC(=O)c1cncc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H14ClN3O4S/c1-9(13-6-11(16)3-4-14(13)20)18-19-15(21)10-5-12(8-17-7-10)24(2,22)23/h3-8,20H,1-2H3,(H,19,21)/b18-9+
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n/an/a 28n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382442
PNG
(CHEMBL2023350)
Show SMILES CN1CCC(CC1)n1cc(c(C)n1)-c1cnc(N)c(c1)-c1nc2ccccc2o1
Show InChI InChI=1S/C22H24N6O/c1-14-18(13-28(26-14)16-7-9-27(2)10-8-16)15-11-17(21(23)24-12-15)22-25-19-5-3-4-6-20(19)29-22/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,24)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382431
PNG
(CHEMBL2022974)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC4CC4)n3)cc2)CC1
Show InChI InChI=1S/C26H30ClN7O/c1-33-12-14-34(15-13-33)17-18-6-8-20(9-7-18)30-26-28-16-22(27)24(32-26)31-23-5-3-2-4-21(23)25(35)29-19-10-11-19/h2-9,16,19H,10-15,17H2,1H3,(H,29,35)(H2,28,30,31,32)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM120748
PNG
(US8703767, 8)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H22ClN5O2/c1-2-21(30)26-18-5-3-4-16(14-18)22-20(24)15-25-23(28-22)27-17-6-8-19(9-7-17)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H,26,30)(H,25,27,28)
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n/an/a 33n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...


US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382433
PNG
(CHEMBL2022977)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccc(F)cc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
Show InChI InChI=1S/C26H31ClFN7O2S/c1-33-12-14-34(15-13-33)18-19-4-7-21(8-5-19)30-26-29-17-22(27)25(32-26)31-23-9-6-20(28)16-24(23)38(36,37)35-10-2-3-11-35/h4-9,16-17H,2-3,10-15,18H2,1H3,(H2,29,30,31,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM120741
PNG
(US8703767, 1)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)nc2n[nH]cc12
Show InChI InChI=1S/C24H23N7O2/c1-2-21(32)26-18-5-3-4-16(14-18)22-20-15-25-30-23(20)29-24(28-22)27-17-6-8-19(9-7-17)31-10-12-33-13-11-31/h2-9,14-15H,1,10-13H2,(H,26,32)(H2,25,27,28,29,30)
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n/an/a 45n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....


US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM120748
PNG
(US8703767, 8)
Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H22ClN5O2/c1-2-21(30)26-18-5-3-4-16(14-18)22-20(24)15-25-23(28-22)27-17-6-8-19(9-7-17)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H,26,30)(H,25,27,28)
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n/an/a 47n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....


US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151624
PNG
(US8987335, 25)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C16H15ClN2O4S/c1-10(14-9-12(17)6-7-15(14)20)18-19-16(21)11-4-3-5-13(8-11)24(2,22)23/h3-9,20H,1-2H3,(H,19,21)/b18-10+
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n/an/a 49n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151624
PNG
(US8987335, 25)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(C)(=O)=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C16H15ClN2O4S/c1-10(14-9-12(17)6-7-15(14)20)18-19-16(21)11-4-3-5-13(8-11)24(2,22)23/h3-9,20H,1-2H3,(H,19,21)/b18-10+
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n/an/a 49n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382439
PNG
(CHEMBL2023347)
Show SMILES CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)N(C)C2CCN(C)CC2)ncc1Cl
Show InChI InChI=1S/C25H32ClN7O2S/c1-31(2)36(34,35)23-8-6-5-7-22(23)29-24-21(26)17-27-25(30-24)28-18-9-11-19(12-10-18)33(4)20-13-15-32(3)16-14-20/h5-12,17,20H,13-16H2,1-4H3,(H2,27,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382430
PNG
(CHEMBL2022973)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCCC4)n3)cc2)CC1
Show InChI InChI=1S/C27H32ClN7O/c1-33-14-16-34(17-15-33)19-20-8-10-21(11-9-20)30-27-29-18-23(28)25(32-27)31-24-7-3-2-6-22(24)26(36)35-12-4-5-13-35/h2-3,6-11,18H,4-5,12-17,19H2,1H3,(H2,29,30,31,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM120741
PNG
(US8703767, 1)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)nc2n[nH]cc12
Show InChI InChI=1S/C24H23N7O2/c1-2-21(32)26-18-5-3-4-16(14-18)22-20-15-25-30-23(20)29-24(28-22)27-17-6-8-19(9-7-17)31-10-12-33-13-11-31/h2-9,14-15H,1,10-13H2,(H,26,32)(H2,25,27,28,29,30)
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n/an/a 79n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ADP generation assay described herein. Test compounds were diluted to desired concentratio...


US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM103938
PNG
(US8569511, 1)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)
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n/an/a 80n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382437
PNG
(CHEMBL2023345)
Show SMILES CN(C)S(=O)(=O)c1cc(F)ccc1-c1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
Show InChI InChI=1S/C24H28ClFN6O2S/c1-30(2)35(33,34)22-14-18(26)6-9-20(22)23-21(25)15-27-24(29-23)28-19-7-4-17(5-8-19)16-32-12-10-31(3)11-13-32/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,28,29)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382426
PNG
(CHEMBL2022969)
Show SMILES CN(C)C(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
Show InChI InChI=1S/C25H30ClN7O/c1-31(2)24(34)20-6-4-5-7-22(20)29-23-21(26)16-27-25(30-23)28-19-10-8-18(9-11-19)17-33-14-12-32(3)13-15-33/h4-11,16H,12-15,17H2,1-3H3,(H2,27,28,29,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382438
PNG
(CHEMBL2023346)
Show SMILES CN1CCN(Cc2ccc(Nc3ncc(Cl)c(n3)-c3ccc(F)cc3S(=O)(=O)N3CCCC3)cc2)CC1
Show InChI InChI=1S/C26H30ClFN6O2S/c1-32-12-14-33(15-13-32)18-19-4-7-21(8-5-19)30-26-29-17-23(27)25(31-26)22-9-6-20(28)16-24(22)37(35,36)34-10-2-3-11-34/h4-9,16-17H,2-3,10-15,18H2,1H3,(H,29,30,31)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM103939
PNG
(US8569511, 2)
Show SMILES CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12
Show InChI InChI=1S/C23H22F2N6O2/c1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30)
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n/an/a 94n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The secondary assay was a time resolved-FRET LanthaScreen Kinase Binding Assay. (Invitrogen Corporation, Carlsbad, Calif.). This assay evaluates the...


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50382444
PNG
(CHEMBL2023352)
Show SMILES Cc1c[nH]c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc(-c3cccc(CC#N)c3)c12
Show InChI InChI=1S/C27H29N7O/c1-19-18-29-26-24(19)25(21-4-2-3-20(17-21)9-10-28)31-27(32-26)30-22-5-7-23(8-6-22)34-13-11-33(12-14-34)15-16-35/h2-8,17-18,35H,9,11-16H2,1H3,(H2,29,30,31,32)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis


ACS Med Chem Lett 2: 907-912 (2011)


Article DOI: 10.1021/ml200198x
BindingDB Entry DOI: 10.7270/Q2DZ099R
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445345
PNG
(CHEMBL3104340)
Show SMILES CN(C)[C@@H]1CCN(CCN[C@H]2C[C@@H]2c2ccccc2)C1 |r|
Show InChI InChI=1S/C17H27N3/c1-19(2)15-8-10-20(13-15)11-9-18-17-12-16(17)14-6-4-3-5-7-14/h3-7,15-18H,8-13H2,1-2H3/t15-,16-,17+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 using dimethylated H3K4 peptide as substrate after 1 hr


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM120743
PNG
(US8703767, 3)
Show SMILES Fc1cc(Nc2nc(-c3cccc(NC(=O)C=C)c3)c3c[nH]nc3n2)ccc1N1CCOCC1
Show InChI InChI=1S/C24H22FN7O2/c1-2-21(33)27-16-5-3-4-15(12-16)22-18-14-26-31-23(18)30-24(29-22)28-17-6-7-20(19(25)13-17)32-8-10-34-11-9-32/h2-7,12-14H,1,8-11H2,(H,27,33)(H2,26,28,29,30,31)
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n/an/a 126n/an/an/an/an/a25



University of Utah Research Foundation

US Patent


Assay Description
Activity of compounds was routinely confirmed using a secondary assay as described herein. The secondary assay was a time resolved-FRET kinase assay....


US Patent US8703767 (2014)


BindingDB Entry DOI: 10.7270/Q23X85BF
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151610
PNG
(US8987335, 11 | US9555024, 11)
Show SMILES C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
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n/an/a 128n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151610
PNG
(US8987335, 11 | US9555024, 11)
Show SMILES C\C(=N/NC(=O)c1ccccc1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
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University of Utah Research Foundation

US Patent




US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445344
PNG
(CHEMBL3104249)
Show SMILES CC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1O |w:2.2|
Show InChI InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
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University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin) using dimethyl K4 peptide as substrate assessed as resorufin level by spectrophotometric analysis


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair
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