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Compile Data Set for Download or QSAR

Found 2193 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50468050
PNG
(CHEMBL4287599)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2s1
Show InChI InChI=1S/C28H34N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6-12,18-19,26H,3-5,13-17H2,1-2H3,(H,30,33)(H,34,35)/b10-7+
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410n/an/an/an/an/an/an/an/a



The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin)


J Med Chem 61: 10588-10601 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01219
BindingDB Entry DOI: 10.7270/Q2R49TGF
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM50273478
PNG
(CHEMBL4130224)
Show SMILES [I-].CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1
Show InChI InChI=1S/C25H32NO3/c1-5-6-11-23-24(21-10-7-8-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-9-17-26(2,3)4/h7-8,10,12-16H,5-6,9,11,17-18H2,1-4H3/q+1
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Article
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7.40E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Mixed type inhibition of KDM5A (L88 to G353 residues) ARID/PHD1/2/3 deletion mutant (unknown origin) demethylation activity using H3(1-21)K4me3 pepti...


Bioorg Med Chem 26: 2984-2991 (2018)


Article DOI: 10.1016/j.bmc.2018.03.030
BindingDB Entry DOI: 10.7270/Q2N01912
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281282
PNG
(US10022354, Example 222)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)[C@H]1C[C@H]1F
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n/an/a 0.0250n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281250
PNG
(US10022354, Example 190)
Show SMILES CCC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](CC(=O)[C@@H]2C[C@@H]2F)C1
Show InChI InChI=1S/C17H24FN3O2/c1-3-10(2)14-8-15(20-19-14)17(23)21-5-4-11(9-21)6-16(22)12-7-13(12)18/h8,10-13H,3-7,9H2,1-2H3,(H,19,20)/t10?,11-,12+,13-/m0/s1
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n/an/a 0.0370n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281249
PNG
(US10022354, Example 189)
Show SMILES CCC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](CC(=O)[C@H]2C[C@H]2F)C1
Show InChI InChI=1S/C17H24FN3O2/c1-3-10(2)14-8-15(20-19-14)17(23)21-5-4-11(9-21)6-16(22)12-7-13(12)18/h8,10-13H,3-7,9H2,1-2H3,(H,19,20)/t10?,11-,12-,13+/m0/s1
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n/an/a 0.0380n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281103
PNG
(US10022354, Example 43)
Show SMILES CCc1cccn([C@@H]2CCN(C2)C(=O)c2cc(n[nH]2)C(C)C)c1=O
Show InChI InChI=1S/C18H24N4O2/c1-4-13-6-5-8-22(17(13)23)14-7-9-21(11-14)18(24)16-10-15(12(2)3)19-20-16/h5-6,8,10,12,14H,4,7,9,11H2,1-3H3,(H,19,20)/t14-/m1/s1
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n/an/a 0.0390n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281279
PNG
(US10022354, Example 219)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1C[C@H](O)[C@H](C1)NC(=O)C1CC1
Show InChI InChI=1S/C15H22N4O3/c1-8(2)10-5-11(18-17-10)15(22)19-6-12(13(20)7-19)16-14(21)9-3-4-9/h5,8-9,12-13,20H,3-4,6-7H2,1-2H3,(H,16,21)(H,17,18)/t12-,13-/m0/s1
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n/an/a 0.0460n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281189
PNG
(US10022354, Example 129)
Show SMILES CCOc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C20H26N4O3/c1-4-27-18-8-6-5-7-15(18)19(25)21-14-9-10-24(12-14)20(26)17-11-16(13(2)3)22-23-17/h5-8,11,13-14H,4,9-10,12H2,1-3H3,(H,21,25)(H,22,23)
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n/an/a 0.0470n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281089
PNG
(US10022354, Example 29)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC1
Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)/t11-/m1/s1
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n/an/a 0.0490n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281278
PNG
(US10022354, Example 218)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1C[C@H](F)[C@H](C1)NC(=O)C1CC1
Show InChI InChI=1S/C15H21FN4O2/c1-8(2)11-5-12(19-18-11)15(22)20-6-10(16)13(7-20)17-14(21)9-3-4-9/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,17,21)(H,18,19)/t10-,13-/m0/s1
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n/an/a 0.0500n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281281
PNG
(US10022354, Example 221)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1(F)CC1
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n/an/a 0.0510n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281101
PNG
(US10022354, Example 41)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)n1cccc(C2CC2)c1=O
Show InChI InChI=1S/C19H24N4O2/c1-12(2)16-10-17(21-20-16)19(25)22-9-7-14(11-22)23-8-3-4-15(18(23)24)13-5-6-13/h3-4,8,10,12-14H,5-7,9,11H2,1-2H3,(H,20,21)/t14-/m1/s1
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n/an/a 0.0510n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281180
PNG
(US10022354, Example 120)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C20H23N5O2/c1-12(2)16-10-18(24-23-16)20(27)25-8-6-15(11-25)22-19(26)14-4-3-13-5-7-21-17(13)9-14/h3-5,7,9-10,12,15,21H,6,8,11H2,1-2H3,(H,22,26)(H,23,24)
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n/an/a 0.0530n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281196
PNG
(US10022354, Example 136)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-17(2)21-14-22(28-27-21)25(31)29-13-12-19(15-29)26-24(30)20-10-6-7-11-23(20)32-16-18-8-4-3-5-9-18/h3-11,14,17,19H,12-13,15-16H2,1-2H3,(H,26,30)(H,27,28)
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n/an/a 0.0540n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281100
PNG
(US10022354, Example 40)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)n1cccc(C)c1=O
Show InChI InChI=1S/C17H22N4O2/c1-11(2)14-9-15(19-18-14)17(23)20-8-6-13(10-20)21-7-4-5-12(3)16(21)22/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,18,19)
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n/an/a 0.0580n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281094
PNG
(US10022354, Example 34)
Show SMILES CNC(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C13H21N5O2/c1-8(2)10-6-11(17-16-10)12(19)18-5-4-9(7-18)15-13(20)14-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,17)(H2,14,15,20)
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n/an/a 0.0580n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281188
PNG
(US10022354, Example 128)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1(C)CC1
Show InChI InChI=1S/C16H24N4O2/c1-10(2)12-8-13(19-18-12)14(21)20-7-4-11(9-20)17-15(22)16(3)5-6-16/h8,10-11H,4-7,9H2,1-3H3,(H,17,22)(H,18,19)
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n/an/a 0.0590n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281240
PNG
(US10022354, Example 180)
Show SMILES CCCOc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C21H28N4O3/c1-4-11-28-19-8-6-5-7-16(19)20(26)22-15-9-10-25(13-15)21(27)18-12-17(14(2)3)23-24-18/h5-8,12,14-15H,4,9-11,13H2,1-3H3,(H,22,26)(H,23,24)
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n/an/a 0.0650n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281211
PNG
(US10022354, Example 151)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CC1
Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-7-13(18-17-12)15(21)19-6-5-11(8-19)16-14(20)10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18)
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n/an/a 0.0650n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281181
PNG
(US10022354, Example 121)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C20H23N5O2/c1-12(2)17-10-18(24-23-17)20(27)25-8-6-15(11-25)22-19(26)14-3-4-16-13(9-14)5-7-21-16/h3-5,7,9-10,12,15,21H,6,8,11H2,1-2H3,(H,22,26)(H,23,24)
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n/an/a 0.0660n/an/an/an/a7.025



Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281172
PNG
(US10022354, Example 112)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccn(C)n1
Show InChI InChI=1S/C16H22N6O2/c1-10(2)13-8-14(19-18-13)16(24)22-7-4-11(9-22)17-15(23)12-5-6-21(3)20-12/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,17,23)(H,18,19)
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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281194
PNG
(US10022354, Example 134)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1(C)CCC1
Show InChI InChI=1S/C17H26N4O2/c1-11(2)13-9-14(20-19-13)15(22)21-8-5-12(10-21)18-16(23)17(3)6-4-7-17/h9,11-12H,4-8,10H2,1-3H3,(H,18,23)(H,19,20)
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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281218
PNG
(US10022354, Example 158)
Show SMILES COc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C19H24N4O3/c1-12(2)15-10-16(22-21-15)19(25)23-9-8-13(11-23)20-18(24)14-6-4-5-7-17(14)26-3/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,24)(H,21,22)
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Genentech Inc

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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281284
PNG
(US10022354, Example 224)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1(C)CC1
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281216
PNG
(US10022354, Example 156)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C18H21FN4O2/c1-11(2)15-9-16(22-21-15)18(25)23-7-6-14(10-23)20-17(24)12-4-3-5-13(19)8-12/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,20,24)(H,21,22)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281215
PNG
(US10022354, Example 155)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1F
Show InChI InChI=1S/C18H21FN4O2/c1-11(2)15-9-16(22-21-15)18(25)23-8-7-12(10-23)20-17(24)13-5-3-4-6-14(13)19/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,24)(H,21,22)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281195
PNG
(US10022354, Example 135)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2cc[nH]c2n1
Show InChI InChI=1S/C19H22N6O2/c1-11(2)15-9-16(24-23-15)19(27)25-8-6-13(10-25)21-18(26)14-4-3-12-5-7-20-17(12)22-14/h3-5,7,9,11,13H,6,8,10H2,1-2H3,(H,20,22)(H,21,26)(H,23,24)
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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281177
PNG
(US10022354, Example 117)
Show SMILES S.CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O2.H2S/c1-12(2)15-10-16(21-20-15)18(24)22-9-8-14(11-22)19-17(23)13-6-4-3-5-7-13;/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,23)(H,20,21);1H2/t14-;/m0./s1
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Genentech Inc

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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281243
PNG
(US10022354, Example 183)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H22N4O2/c1-12(2)15-10-16(21-20-15)18(24)22-9-8-14(11-22)19-17(23)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H,19,23)(H,20,21)/t14-/m1/s1
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281288
PNG
(US10022354, Example 228)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC11CC1
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281237
PNG
(US10022354, Example 177)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2[nH]ccc2n1
Show InChI InChI=1S/C19H22N6O2/c1-11(2)16-9-17(24-23-16)19(27)25-8-6-12(10-25)21-18(26)15-4-3-13-14(22-15)5-7-20-13/h3-5,7,9,11-12,20H,6,8,10H2,1-2H3,(H,21,26)(H,23,24)
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Genentech Inc

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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281238
PNG
(US10022354, Example 178)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H25N5O2/c1-13(2)17-11-18(24-23-17)21(28)26-9-7-16(12-26)22-20(27)15-4-5-19-14(10-15)6-8-25(19)3/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3,(H,22,27)(H,23,24)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281102
PNG
(US10022354, Example 42)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)n1cccc(C(C)C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)15-6-5-8-23(18(15)24)14-7-9-22(11-14)19(25)17-10-16(13(3)4)20-21-17/h5-6,8,10,12-14H,7,9,11H2,1-4H3,(H,20,21)/t14-/m1/s1
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281212
PNG
(US10022354, Example 152)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CCC1
Show InChI InChI=1S/C16H24N4O2/c1-10(2)13-8-14(19-18-13)16(22)20-7-6-12(9-20)17-15(21)11-4-3-5-11/h8,10-12H,3-7,9H2,1-2H3,(H,17,21)(H,18,19)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281095
PNG
(US10022354, Example 35)
Show SMILES CC(C)NC(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C15H25N5O2/c1-9(2)12-7-13(19-18-12)14(21)20-6-5-11(8-20)17-15(22)16-10(3)4/h7,9-11H,5-6,8H2,1-4H3,(H,18,19)(H2,16,17,22)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281093
PNG
(US10022354, Example 33)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)NC1CC1
Show InChI InChI=1S/C15H23N5O2/c1-9(2)12-7-13(19-18-12)14(21)20-6-5-11(8-20)17-15(22)16-10-3-4-10/h7,9-11H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,22)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281261
PNG
(US10022354, Example 201)
Show SMILES CC(C)Oc1ccccc1C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1S/C21H28N4O3/c1-13(2)17-11-18(24-23-17)21(27)25-10-9-15(12-25)22-20(26)16-7-5-6-8-19(16)28-14(3)4/h5-8,11,13-15H,9-10,12H2,1-4H3,(H,22,26)(H,23,24)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281073
PNG
(US10022354, Example 13)
Show SMILES COc1cc(cc(n1)C1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C)-c1cnn(C)c1
Show InChI InChI=1S/C21H26N6O2/c1-13(2)17-9-19(25-24-17)21(28)27-6-5-14(12-27)18-7-15(8-20(23-18)29-4)16-10-22-26(3)11-16/h7-11,13-14H,5-6,12H2,1-4H3,(H,24,25)
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Genentech Inc

US Patent


Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281210
PNG
(US10022354, Example 150)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H21ClN4O2/c1-11(2)15-9-16(22-21-15)18(25)23-8-7-12(10-23)20-17(24)13-5-3-4-6-14(13)19/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,20,24)(H,21,22)
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Genentech Inc

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Assay Description
Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...


US Patent US10022354 (2018)


BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277713
PNG
(3-{[1-(2-methoxyethyl)-1H-indazol-3-yl]amino}pyrid...)
Show SMILES COCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C16H16N4O3/c1-23-9-8-20-14-5-3-2-4-12(14)15(19-20)18-13-10-17-7-6-11(13)16(21)22/h2-7,10H,8-9H2,1H3,(H,18,19)(H,21,22)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277714
PNG
(3-[(1-{2-[2-(dimethylamino)ethoxy]ethyl}-1H-indazo...)
Show SMILES CN(C)CCOCCn1nc(Nc2cnccc2C(O)=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3/c1-23(2)9-11-27-12-10-24-17-6-4-3-5-15(17)18(22-24)21-16-13-20-8-7-14(16)19(25)26/h3-8,13H,9-12H2,1-2H3,(H,21,22)(H,25,26)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277715
PNG
(3-[(1,5-dimethyl-1H-indazol-3-yl)amino]pyridine-4-...)
Show SMILES Cc1ccc2n(C)nc(Nc3cnccc3C(O)=O)c2c1
Show InChI InChI=1S/C15H14N4O2/c1-9-3-4-13-11(7-9)14(18-19(13)2)17-12-8-16-6-5-10(12)15(20)21/h3-8H,1-2H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277716
PNG
(3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C14H11FN4O2/c1-19-11-4-2-3-9(15)12(11)13(18-19)17-10-7-16-6-5-8(10)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277717
PNG
(3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)ami...)
Show SMILES Cn1nc(Nc2cnccc2C(O)=O)c2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2/c1-22-12-3-2-8(15(16,17)18)6-10(12)13(21-22)20-11-7-19-5-4-9(11)14(23)24/h2-7H,1H3,(H,20,21)(H,23,24)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277718
PNG
(3-[(5-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C16H15FN4O2/c1-2-7-21-14-4-3-10(17)8-12(14)15(20-21)19-13-9-18-6-5-11(13)16(22)23/h3-6,8-9H,2,7H2,1H3,(H,19,20)(H,22,23)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277719
PNG
(3-{[1-(cyclopropylmethyl)-5-fluoro-1H-indazol-3-yl...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O2/c18-11-3-4-15-13(7-11)16(21-22(15)9-10-1-2-10)20-14-8-19-6-5-12(14)17(23)24/h3-8,10H,1-2,9H2,(H,20,21)(H,23,24)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277720
PNG
(3-{[5-fluoro-1-(methoxypropyl)-1H-indazol-3-yl]ami...)
Show SMILES COCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C17H17FN4O3/c1-25-8-2-7-22-15-4-3-11(18)9-13(15)16(21-22)20-14-10-19-6-5-12(14)17(23)24/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)(H,23,24)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277721
PNG
(3-[(5-fluoro-1-pentyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCCCn1nc(Nc2cnccc2C(O)=O)c2cc(F)ccc12
Show InChI InChI=1S/C18H19FN4O2/c1-2-3-4-9-23-16-6-5-12(19)10-14(16)17(22-23)21-15-11-20-8-7-13(15)18(24)25/h5-8,10-11H,2-4,9H2,1H3,(H,21,22)(H,24,25)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277722
PNG
(3-{[5-fluoro-1-(2-phenethyl)-1H-indazol-3-yl]amino...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCc2ccccc2)c2ccc(F)cc12
Show InChI InChI=1S/C21H17FN4O2/c22-15-6-7-19-17(12-15)20(24-18-13-23-10-8-16(18)21(27)28)25-26(19)11-9-14-4-2-1-3-5-14/h1-8,10,12-13H,9,11H2,(H,24,25)(H,27,28)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM277723
PNG
(3-[(7-fluoro-1-propyl-1H-indazol-3-yl)amino]pyridi...)
Show SMILES CCCn1nc(Nc2cnccc2C(O)=O)c2cccc(F)c12
Show InChI InChI=1S/C16H15FN4O2/c1-2-8-21-14-11(4-3-5-12(14)17)15(20-21)19-13-9-18-7-6-10(13)16(22)23/h3-7,9H,2,8H2,1H3,(H,19,20)(H,22,23)
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Celgene Quanticel Research Inc

US Patent


Assay Description
The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...


US Patent US10040779 (2018)


BindingDB Entry DOI: 10.7270/Q26H4KF1
More data for this
Ligand-Target Pair
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