Compile Data Set for Download or QSAR
Found 361 Enz. Inhib. hit(s) with Target = 'ATPase family AAA domain-containing protein 2'
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataKi:  20nMAssay Description:Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataKi:  20nMAssay Description:Binding affinity to ATAD2 (unknown origin) by BROMOscan panel based assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataKi:  40nMAssay Description:Binding affinity to ATAD2B (unknown origin) by BROMOscan panel based assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50514871(CHEMBL4576280)
Show SMILES C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)ccc1Br
Show InChI InChI=1S/C21H27BrN4O5S/c1-12-9-25(10-13(12)2)32(30,31)17-8-15(6-7-16(17)22)23-18(27)11-26-19(28)21(3,14-4-5-14)24-20(26)29/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,23,27)(H,24,29)/t12-,13-,21?/m1/s1
Affinity DataIC50: 25nMAssay Description:Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50504166(CHEMBL4529901)
Show SMILES CN1CCN(CC1)c1nc(C(=O)c2ccccc2)c2cnn(C)c2n1
Show InChI InChI=1S/C18H20N6O/c1-22-8-10-24(11-9-22)18-20-15(14-12-19-23(2)17(14)21-18)16(25)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
Affinity DataIC50: 30nMAssay Description:Displacement of biotinylated H4 peptide from His6/FLAG-tagged TEV fused ATAD2 bromodomain (950 to 1148 residues) (unknown origin) expressed in Escher...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098301(CHEMBL3590383)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-
Affinity DataIC50: 32nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098251(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1
Affinity DataIC50: 40nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098305(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 40nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098305(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 40nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464129(CHEMBL4244134)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCC(F)(F)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C28H34F2N4O2/c1-17-11-20(14-32-13-17)21-3-4-24(26-22(21)12-18(2)27(35)34-26)33-23-7-10-31-15-25(23)36-16-19-5-8-28(29,30)9-6-19/h3-4,11-14,19,23,25,31,33H,5-10,15-16H2,1-2H3,(H,34,35)/t23-,25-/m1/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098307(CHEMBL3590407)
Show SMILES CCc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cncc(C)c1
Show InChI InChI=1S/C26H29NO/c1-4-25(22-13-9-6-10-14-22)26(19-21-11-7-5-8-12-21)23-15-17-24(18-16-23)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
Affinity DataIC50: 50nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464128(CHEMBL4206758)
Show SMILES CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1
Affinity DataIC50: 50nMAssay Description:Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) expressed in Escherichia coli BL...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464128(CHEMBL4206758)
Show SMILES CO[C@H]1CNC[C@@H](OCC2CCC(F)(F)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/t22-,23+,25+/m0/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50514857(CHEMBL4449894)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br
Show InChI InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20-/m0/s1
Affinity DataIC50: 63nMAssay Description:Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098305(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 63nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098306(CHEMBL3590406)
Show SMILES C[C@H]1C[C@@H](CO[C@@H]2CNCC[C@H]2Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)C[C@@H](C)S1(=O)=O
Affinity DataIC50: 63nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098307(CHEMBL3590407)
Show SMILES CCc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cncc(C)c1
Show InChI InChI=1S/C26H29NO/c1-4-25(22-13-9-6-10-14-22)26(19-21-11-7-5-8-12-21)23-15-17-24(18-16-23)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
Affinity DataIC50: 79nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098255(CHEMBL3590381)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m1/s1
Affinity DataIC50: 100nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098303(CHEMBL3590385)
Show SMILES COc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C29H33NO/c1-2-28(26-16-18-27(19-17-26)31-23-30-20-10-5-11-21-30)29(25-14-8-4-9-15-25)22-24-12-6-3-7-13-24/h3-4,6-9,12-19H,2,5,10-11,20-23H2,1H3/b29-28-
Affinity DataIC50: 100nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464134(CHEMBL4242484)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2C[C@H]3CC[C@H](N3)[C@H]2CCC2CCC(F)(F)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C30H37F2N5O/c1-17-11-20(15-33-14-17)24-16-34-28(27-23(24)12-18(2)29(38)37-27)36-26-13-21-4-6-25(35-21)22(26)5-3-19-7-9-30(31,32)10-8-19/h11-12,14-16,19,21-22,25-26,35H,3-10,13H2,1-2H3,(H,34,36)(H,37,38)/t21-,22-,25+,26-/m1/s1
Affinity DataIC50: 100nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataIC50: 100nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50514885(CHEMBL4589592)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)ccc1Br
Show InChI InChI=1S/C20H25BrN4O5S/c1-12-7-8-24(10-12)31(29,30)16-9-14(5-6-15(16)21)22-17(26)11-25-18(27)20(2,13-3-4-13)23-19(25)28/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3,(H,22,26)(H,23,28)/t12-,20+/m0/s1
Affinity DataIC50: 100nMAssay Description:Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098306(CHEMBL3590406)
Show SMILES C[C@H]1C[C@@H](CO[C@@H]2CNCC[C@H]2Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)C[C@@H](C)S1(=O)=O
Affinity DataIC50: 100nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098255(CHEMBL3590381)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C12H12N2O4/c13-8(12(16)17)6-9-10(11(15)14-18-9)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H,14,15)(H,16,17)/t8-/m1/s1
Affinity DataIC50: 126nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098301(CHEMBL3590383)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-
Affinity DataIC50: 126nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098303(CHEMBL3590385)
Show SMILES COc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C29H33NO/c1-2-28(26-16-18-27(19-17-26)31-23-30-20-10-5-11-21-30)29(25-14-8-4-9-15-25)22-24-12-6-3-7-13-24/h3-4,6-9,12-19H,2,5,10-11,20-23H2,1H3/b29-28-
Affinity DataIC50: 126nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098301(CHEMBL3590383)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-
Affinity DataIC50: 126nMAssay Description:Binding affinity to ATAD2(unknown origin) by peptide FRET assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098251(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1
Affinity DataIC50: 126nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098251(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C26H34N6O2/c1-16-9-20-21(18-10-19(27)12-29-11-18)13-30-25(24(20)32-26(16)33)31-22-7-8-28-14-23(22)34-15-17-5-3-2-4-6-17/h9-13,17,22-23,28H,2-8,14-15,27H2,1H3,(H,30,31)(H,32,33)/t22-,23-/m1/s1
Affinity DataIC50: 126nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464127(CHEMBL4250812)
Show SMILES CO[C@H]1CNC[C@@H](OCC2CCS(=O)(=O)CC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C27H35N5O5S/c1-16-8-19(11-28-10-16)21-12-30-26(24-20(21)9-17(2)27(33)32-24)31-25-22(36-3)13-29-14-23(25)37-15-18-4-6-38(34,35)7-5-18/h8-12,18,22-23,25,29H,4-7,13-15H2,1-3H3,(H,30,31)(H,32,33)/t22-,23+,25+/m0/s1
Affinity DataIC50: 126nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098301(CHEMBL3590383)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C26H29NO/c1-4-22(19-21-11-7-5-8-12-21)26(23-13-9-6-10-14-23)24-15-17-25(18-16-24)28-20-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-22-
Affinity DataIC50: 126nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098305(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 158nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098305(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 158nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50520627(CHEMBL4536031)
Show SMILES COc1cc(Cl)c(cc1-c1ccc(CN[C@H](C)c2ccc(C)cc2)o1)C(=O)N[C@@H](CN[C@@H]1CC[C@H](N)CC1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C38H44ClN5O3/c1-24-4-10-28(11-5-24)25(2)42-23-32-16-17-36(47-32)34-19-33(35(39)20-37(34)46-3)38(45)44-31(18-26-6-8-27(21-40)9-7-26)22-43-30-14-12-29(41)13-15-30/h4-11,16-17,19-20,25,29-31,42-43H,12-15,18,22-23,41H2,1-3H3,(H,44,45)/t25-,29-,30+,31-/m1/s1
Affinity DataIC50: 166nMAssay Description:Induction of ATAD2 bromodomain (unknown origin) dimerizationMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098250(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
Affinity DataIC50: 200nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464130(CHEMBL4246358)
Show SMILES CO[C@H]1CNC[C@@H](OCC2CCOCC2)[C@@H]1Nc1ncc(-c2cncc(C)c2)c2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C27H35N5O4/c1-16-8-19(11-28-10-16)21-12-30-26(24-20(21)9-17(2)27(33)32-24)31-25-22(34-3)13-29-14-23(25)36-15-18-4-6-35-7-5-18/h8-12,18,22-23,25,29H,4-7,13-15H2,1-3H3,(H,30,31)(H,32,33)/t22-,23+,25+/m0/s1
Affinity DataIC50: 200nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098254(CHEMBL3590380)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C25H31N5O3/c1-16-11-19-20(18-3-2-7-26-12-18)13-28-24(23(19)30-25(16)31)29-21-4-8-27-14-22(21)33-15-17-5-9-32-10-6-17/h2-3,7,11-13,17,21-22,27H,4-6,8-10,14-15H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m1/s1
Affinity DataIC50: 200nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098250(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
Affinity DataIC50: 200nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098311(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Affinity DataIC50: 251nMAssay Description:Binding affinity to ATAD2(unknown origin) by peptide FRET assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50514863(CHEMBL4464650)
Show SMILES C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C17H21ClN4O5S/c1-10-7-21(8-11(10)2)28(26,27)14-5-12(3-4-13(14)18)20-15(23)9-22-16(24)6-19-17(22)25/h3-5,10-11H,6-9H2,1-2H3,(H,19,25)(H,20,23)/t10-,11-/m1/s1
Affinity DataIC50: 251nMAssay Description:Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464135(CHEMBL4246741)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2C[C@H]3CC[C@H](N3)[C@H]2CCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C30H38N4O3S/c1-18-13-21(17-31-16-18)23-6-8-27(29-25(23)14-19(2)30(35)34-29)33-28-15-22-4-7-26(32-22)24(28)5-3-20-9-11-38(36,37)12-10-20/h6,8,13-14,16-17,20,22,24,26,28,32-33H,3-5,7,9-12,15H2,1-2H3,(H,34,35)/t22-,24-,26+,28-/m1/s1
Affinity DataIC50: 251nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464131(CHEMBL4241003)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2C[C@H]3CC[C@H](N3)[C@H]2CCC2CCOCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C29H37N5O2/c1-17-11-20(15-30-14-17)24-16-31-28(27-23(24)12-18(2)29(35)34-27)33-26-13-21-4-6-25(32-21)22(26)5-3-19-7-9-36-10-8-19/h11-12,14-16,19,21-22,25-26,32H,3-10,13H2,1-2H3,(H,31,33)(H,34,35)/t21-,22-,25+,26-/m1/s1
Affinity DataIC50: 251nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098300(CHEMBL3590382)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C28H31NO2/c1-2-27(24-9-5-3-6-10-24)28(25-11-7-4-8-12-25)21-23-13-15-26(16-14-23)31-22-29-17-19-30-20-18-29/h3-16H,2,17-22H2,1H3/b28-27+
Affinity DataIC50: 251nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50514870(CHEMBL4565203)
Show SMILES C[C@]1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCC2)C1=O)C1CC1
Show InChI InChI=1S/C19H23BrN4O5S/c1-19(12-4-5-12)17(26)24(18(27)22-19)11-16(25)21-13-6-7-14(20)15(10-13)30(28,29)23-8-2-3-9-23/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,25)(H,22,27)/t19-/m0/s1
Affinity DataIC50: 251nMAssay Description:Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098302(CHEMBL3590384)
Show SMILES COc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 251nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098254(CHEMBL3590380)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O)-c1cccnc1
Show InChI InChI=1S/C25H31N5O3/c1-16-11-19-20(18-3-2-7-26-12-18)13-28-24(23(19)30-25(16)31)29-21-4-8-27-14-22(21)33-15-17-5-9-32-10-6-17/h2-3,7,11-13,17,21-22,27H,4-6,8-10,14-15H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m1/s1
Affinity DataIC50: 251nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50464132(CHEMBL4246286)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2C[C@H]3CC[C@H](N3)[C@H]2CCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C29H37N5O3S/c1-17-11-20(15-30-14-17)24-16-31-28(27-23(24)12-18(2)29(35)34-27)33-26-13-21-4-6-25(32-21)22(26)5-3-19-7-9-38(36,37)10-8-19/h11-12,14-16,19,21-22,25-26,32H,3-10,13H2,1-2H3,(H,31,33)(H,34,35)/t21-,22-,25+,26-/m1/s1
Affinity DataIC50: 251nMAssay Description:Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098302(CHEMBL3590384)
Show SMILES COc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12
Affinity DataIC50: 316nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098300(CHEMBL3590382)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCOCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C28H31NO2/c1-2-27(24-9-5-3-6-10-24)28(25-11-7-4-8-12-25)21-23-13-15-26(16-14-23)31-22-29-17-19-30-20-18-29/h3-16H,2,17-22H2,1H3/b28-27+
Affinity DataIC50: 316nMAssay Description:Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...More data for this Ligand-Target Pair
TargetATPase family AAA domain-containing protein 2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50098250(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C27H35N5O2/c1-17-10-20(13-29-12-17)22-14-30-26(25-21(22)11-18(2)27(33)32-25)31-23-8-9-28-15-24(23)34-16-19-6-4-3-5-7-19/h10-14,19,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
Affinity DataIC50: 316nMAssay Description:Binding affinity to ATAD2 (unknown origin) using HuT-78 chromatin lysate incubated for 2 hrs by bromosphere competition binding assayMore data for this Ligand-Target Pair
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