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Compile Data Set for Download or QSAR

Found 1818 hits with Last Name = 'lai' and Initial = 'kw'   
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 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
Show InChI InChI=1/C15H21FN4O2/c1-8(2)12-6-13(19-18-12)15(22)20-4-3-9(7-20)17-14(21)10-5-11(10)16/h6,8-11H,3-5,7H2,1-2H3,(H,17,21)(H,18,19)/t9-,10+,11-/s2
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n/an/a 0.0250n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0370n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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+/s2
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n/an/a 0.0380n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0390n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0460n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0490n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0500n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0510n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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
Show InChI InChI=1/C15H21FN4O2/c1-9(2)11-7-12(19-18-11)13(21)20-6-3-10(8-20)17-14(22)15(16)4-5-15/h7,9-10H,3-6,8H2,1-2H3,(H,17,22)(H,18,19)/t10-/s2
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n/an/a 0.0510n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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n/an/a 0.0710n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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n/an/a 0.0730n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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
Show InChI InChI=1/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)/t11-/s2
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n/an/a 0.0740n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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n/an/a 0.0750n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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n/an/a 0.0760n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-;/s2
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n/an/a 0.0770n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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
Show InChI InChI=1/C17H24N4O2/c1-10(2)13-7-14(20-19-13)16(23)21-6-3-11(9-21)18-15(22)12-8-17(12)4-5-17/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,22)(H,19,20)/t11-,12?/s2
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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n/an/a 0.0780n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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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n/an/a 0.0800n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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-/s2
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n/an/a 0.0820n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
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=1/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.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281225
PNG
(US10022354, Example 165)
Show SMILES CCn1ccc(n1)C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1/C17H24N6O2/c1-4-23-8-6-13(21-23)16(24)18-12-5-7-22(10-12)17(25)15-9-14(11(2)3)19-20-15/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,24)(H,19,20)
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n/an/a 0.110n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281245
PNG
(US10022354, Example 185)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)c1ccccc1OCCO
Show InChI InChI=1/C20H26N4O4/c1-13(2)16-11-17(23-22-16)20(27)24-8-7-14(12-24)21-19(26)15-5-3-4-6-18(15)28-10-9-25/h3-6,11,13-14,25H,7-10,12H2,1-2H3,(H,21,26)(H,22,23)
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n/an/a 0.110n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281129
PNG
(US10022354, Example 69)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1/C27H30N6O/c1-18(2)24-13-26(31-30-24)27(34)32-10-9-21(16-32)25-12-22(11-19(3)29-25)23-14-28-33(17-23)15-20-7-5-4-6-8-20/h4-8,11-14,17-18,21H,9-10,15-16H2,1-3H3,(H,30,31)
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n/an/a 0.110n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281285
PNG
(US10022354, Example 225)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)C1(C)CC1
Show InChI InChI=1/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)/t11-/s2
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n/an/a 0.110n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281289
PNG
(US10022354, Example 229)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@@H](C1)NC(=O)[C@@H]1C[C@@H]1F
Show InChI InChI=1/C15H21FN4O2/c1-8(2)12-6-13(19-18-12)15(22)20-4-3-9(7-20)17-14(21)10-5-11(10)16/h6,8-11H,3-5,7H2,1-2H3,(H,17,21)(H,18,19)/t9-,10+,11-/s2
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n/an/a 0.110n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281256
PNG
(US10022354, Example 196)
Show SMILES Cn1cc(cn1)-n1ccc(n1)C(=O)NC1CCN(C1)C(=O)c1ccn[nH]1
Show InChI InChI=1/C16H18N8O2/c1-22-10-12(8-18-22)24-7-4-13(21-24)15(25)19-11-3-6-23(9-11)16(26)14-2-5-17-20-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,17,20)(H,19,25)
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n/an/a 0.110n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281082
PNG
(US10022354, Example 22)
Show SMILES CC(CCCc1ccccc1)c1cc(n[nH]1)C(=O)N1CCC(C1)NC(=O)C1CC1
Show InChI InChI=1/C23H30N4O2/c1-16(6-5-9-17-7-3-2-4-8-17)20-14-21(26-25-20)23(29)27-13-12-19(15-27)24-22(28)18-10-11-18/h2-4,7-8,14,16,18-19H,5-6,9-13,15H2,1H3,(H,24,28)(H,25,26)
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n/an/a 0.120n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281121
PNG
(US10022354, Example 61)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cccc(C)c1
Show InChI InChI=1/C24H28N4O/c1-15(2)21-13-23(27-26-21)24(29)28-9-8-19(14-28)22-12-20(11-17(4)25-22)18-7-5-6-16(3)10-18/h5-7,10-13,15,19H,8-9,14H2,1-4H3,(H,26,27)
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n/an/a 0.120n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281213
PNG
(US10022354, Example 153)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CCCC1
Show InChI InChI=1/C17H26N4O2/c1-11(2)14-9-15(20-19-14)17(23)21-8-7-13(10-21)18-16(22)12-5-3-4-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,22)(H,19,20)
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n/an/a 0.120n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281272
PNG
(US10022354, Example 212)
Show SMILES CC(CCc1ccccc1)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CC1
Show InChI InChI=1/C22H28N4O2/c1-15(7-8-16-5-3-2-4-6-16)19-13-20(25-24-19)22(28)26-12-11-18(14-26)23-21(27)17-9-10-17/h2-6,13,15,17-18H,7-12,14H2,1H3,(H,23,27)(H,24,25)
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n/an/a 0.120n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281192
PNG
(US10022354, Example 132)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)NC(=O)C1CCOC1
Show InChI InChI=1/C16H24N4O3/c1-10(2)13-7-14(19-18-13)16(22)20-5-3-12(8-20)17-15(21)11-4-6-23-9-11/h7,10-12H,3-6,8-9H2,1-2H3,(H,17,21)(H,18,19)
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n/an/a 0.120n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281219
PNG
(US10022354, Example 159)
Show SMILES COc1cccc(c1)C(=O)NC1CCN(C1)C(=O)c1cc(n[nH]1)C(C)C
Show InChI InChI=1/C19H24N4O3/c1-12(2)16-10-17(22-21-16)19(25)23-8-7-14(11-23)20-18(24)13-5-4-6-15(9-13)26-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3,(H,20,24)(H,21,22)
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n/an/a 0.120n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM281067
PNG
(US10022354, Example 7)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(Oc2ccccc2)cc(C)n1
Show InChI InChI=1/C23H26N4O2/c1-15(2)20-13-22(26-25-20)23(28)27-10-9-17(14-27)21-12-19(11-16(3)24-21)29-18-7-5-4-6-8-18/h4-8,11-13,15,17H,9-10,14H2,1-3H3,(H,25,26)
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n/an/a 0.130n/an/an/an/a7.025



GENENTECH, INC.; CONSTELLATION PHARMACEUTICALS 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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2PC34F7
More data for this
Ligand-Target Pair
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