Compile Data Set for Download or QSAR
Found 2254 Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5A'
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50468050(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+
Affinity DataKi:  410nMAssay Description:Irreversible inhibition of KDM5A ARID/PhD1 domain deletion mutant (1 to 739 residues) (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Mus musculus (Mouse))
Sapienza University of Rome

US Patent
LigandPNGBDBM124969(US8765820, 6l)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)COc2ccccc2)cc1
Show InChI InChI=1S/C28H28N4O3/c29-24-15-23(24)18-10-12-20(13-11-18)31-28(34)26(14-19-16-30-25-9-5-4-8-22(19)25)32-27(33)17-35-21-6-2-1-3-7-21/h1-13,16,23-24,26,30H,14-15,17,29H2,(H,31,34)(H,32,33)
Affinity DataKi:  1.20E+4nMpH: 7.5Assay Description:Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Mus musculus (Mouse))
Sapienza University of Rome

US Patent
LigandPNGBDBM50346586(CHEMBL1795981 | US8765820, 5a)
Show SMILES NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C17H18N2O2/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)
Affinity DataKi:  2.00E+4nMpH: 7.5Assay Description:Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Mus musculus (Mouse))
Sapienza University of Rome

US Patent
LigandPNGBDBM50346864(CHEMBL1797641 | CHEMBL3104337 | US8765820, 8)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)20-11-13-21(14-12-20)28-25(30)24(15-18-7-3-1-4-8-18)29-26(31)32-17-19-9-5-2-6-10-19/h1-14,22-24H,15-17,27H2,(H,28,30)(H,29,31)
Affinity DataKi:  2.00E+4nMpH: 7.5Assay Description:Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Mus musculus (Mouse))
Sapienza University of Rome

US Patent
LigandPNGBDBM124968(US8765820, 6e)
Show SMILES NC1CC1c1ccc(NC(=O)C(Cc2ccccc2)NC(=O)COc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c27-23-16-22(23)19-11-13-20(14-12-19)28-26(31)24(15-18-7-3-1-4-8-18)29-25(30)17-32-21-9-5-2-6-10-21/h1-14,22-24H,15-17,27H2,(H,28,31)(H,29,30)
Affinity DataKi:  3.80E+4nMpH: 7.5Assay Description:Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Mus musculus (Mouse))
Sapienza University of Rome

US Patent
LigandPNGBDBM50346863(CHEMBL1797640 | US8765820, 5b)
Show SMILES NC1CC1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H16N2O/c17-15-10-14(15)11-6-8-13(9-7-11)18-16(19)12-4-2-1-3-5-12/h1-9,14-15H,10,17H2,(H,18,19)
Affinity DataKi:  6.10E+4nMpH: 7.5Assay Description:Human recombinant MAO A and MAO B were expressed in Pichia pastoris and purified as published (Binda C, et al., Proc. Natl. Acad. Sci. USA 100: 9750-...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50273478(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
Affinity DataKi:  7.40E+4nMAssay 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...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281282(US10022354, Example 222)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)[C@H]1C[C@H]1F
Affinity DataIC50: 0.0250nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281250(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
Affinity DataIC50: 0.0370nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281249(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
Affinity DataIC50: 0.0380nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281103(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
Affinity DataIC50: 0.0390nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281279(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
Affinity DataIC50: 0.0460nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281189(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)
Affinity DataIC50: 0.0470nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281089(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
Affinity DataIC50: 0.0490nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281278(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
Affinity DataIC50: 0.0500nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281101(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
Affinity DataIC50: 0.0510nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281281(US10022354, Example 221)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1(F)CC1
Affinity DataIC50: 0.0510nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281180(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)
Affinity DataIC50: 0.0530nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281196(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)
Affinity DataIC50: 0.0540nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281100(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)
Affinity DataIC50: 0.0580nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281094(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)
Affinity DataIC50: 0.0580nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281188(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)
Affinity DataIC50: 0.0590nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281211(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)
Affinity DataIC50: 0.0650nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281240(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)
Affinity DataIC50: 0.0650nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281172(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)
Affinity DataIC50: 0.0660nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281181(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)
Affinity DataIC50: 0.0660nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281194(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)
Affinity DataIC50: 0.0710nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281218(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)
Affinity DataIC50: 0.0730nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281216(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)
Affinity DataIC50: 0.0740nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281284(US10022354, Example 224)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1(C)CC1
Affinity DataIC50: 0.0740nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281215(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)
Affinity DataIC50: 0.0750nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281195(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)
Affinity DataIC50: 0.0760nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281177(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
Affinity DataIC50: 0.0770nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281243(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
Affinity DataIC50: 0.0780nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281288(US10022354, Example 228)
Show SMILES CC(C)c1cc([nH]n1)C(=O)N1CC[C@H](C1)NC(=O)C1CC11CC1
Affinity DataIC50: 0.0780nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281237(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)
Affinity DataIC50: 0.0780nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281238(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)
Affinity DataIC50: 0.0800nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281102(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
Affinity DataIC50: 0.0820nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281212(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)
Affinity DataIC50: 0.0830nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281095(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)
Affinity DataIC50: 0.0830nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281093(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)
Affinity DataIC50: 0.0870nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281261(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)
Affinity DataIC50: 0.0920nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281073(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)
Affinity DataIC50: 0.0940nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM281210(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)
Affinity DataIC50: 0.0980nMpH: 7.0 T: 2°CAssay Description:Full length KDM5A enzyme was expressed and purified inhouse. Biotin-H3K4me3 peptide was purchased from New England Biolabs. HTRF reagents (containing...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM277770(3-({5-fluoro-1-[(3R)-tetrahydrofuran-3-yl]-1H-inda...)
Show SMILES OC(=O)c1ccncc1Nc1nn([C@@H]2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C17H15FN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)/t11-/m1/s1
Affinity DataIC50: 0.100nMAssay Description:The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM277771(3-{[5-fluoro-1-(tetrahydrofuran-3-yl)-1H-indol-3-y...)
Show SMILES OC(=O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
Show InChI InChI=1S/C18H16FN3O3/c19-11-1-2-17-14(7-11)16(9-22(17)12-4-6-25-10-12)21-15-8-20-5-3-13(15)18(23)24/h1-3,5,7-9,12,21H,4,6,10H2,(H,23,24)
Affinity DataIC50: 0.100nMAssay Description:The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM277772(3-{[5-chloro-1-(tetrahydrofuran-3-yl)-1H-indazol-3...)
Show SMILES OC(=O)c1ccncc1Nc1nn(C2CCOC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H15ClN4O3/c18-10-1-2-15-13(7-10)16(21-22(15)11-4-6-25-9-11)20-14-8-19-5-3-12(14)17(23)24/h1-3,5,7-8,11H,4,6,9H2,(H,20,21)(H,23,24)
Affinity DataIC50: 0.100nMAssay Description:The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM277773(N-cyano-3-({5-fluoro-1-[(3S)-tetrahydrofuran-3-yl]...)
Show SMILES Fc1ccc2n(nc(Nc3cnccc3C(=O)NC#N)c2c1)[C@H]1CCOC1
Show InChI InChI=1S/C18H15FN6O2/c19-11-1-2-16-14(7-11)17(24-25(16)12-4-6-27-9-12)23-15-8-21-5-3-13(15)18(26)22-10-20/h1-3,5,7-8,12H,4,6,9H2,(H,22,26)(H,23,24)/t12-/m0/s1
Affinity DataIC50: 0.100nMAssay Description:The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM277774(3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl]-5-fluo...)
Show SMILES OC(=O)c1ccncc1Nc1nn(CCN2CCC(F)(F)C2)c2ccc(F)cc12
Show InChI InChI=1S/C19H18F3N5O2/c20-12-1-2-16-14(9-12)17(24-15-10-23-5-3-13(15)18(28)29)25-27(16)8-7-26-6-4-19(21,22)11-26/h1-3,5,9-10H,4,6-8,11H2,(H,24,25)(H,28,29)
Affinity DataIC50: 0.100nMAssay Description:The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM277775(N-cyano-3-({1-[2-(3,3-difluoropyrrolidin-1yl)ethyl...)
Show SMILES Fc1ccc2n(CCN3CCC(F)(F)C3)nc(Nc3cnccc3C(=O)NC#N)c2c1
Show InChI InChI=1S/C20H18F3N7O/c21-13-1-2-17-15(9-13)18(27-16-10-25-5-3-14(16)19(31)26-12-24)28-30(17)8-7-29-6-4-20(22,23)11-29/h1-3,5,9-10H,4,6-8,11H2,(H,26,31)(H,27,28)
Affinity DataIC50: 0.100nMAssay Description:The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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