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Compile Data Set for Download or QSAR

Found 39 hits of kd data for polymerid = 50006147   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/an/a 7.90n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098251
PNG
(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1/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-/s2
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n/an/an/a 50n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098251
PNG
(CHEMBL3590391)
Show SMILES Cc1cc2c(cnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1/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-/s2
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n/an/an/a 50n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/an/a 60n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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n/an/an/a 63n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098305
PNG
(CHEMBL3590405)
Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/C27H34N4O4S/c1-17-11-20(14-29-13-17)21-3-4-24(26-22(21)12-18(2)27(32)31-26)30-23-5-8-28-15-25(23)35-16-19-6-9-36(33,34)10-7-19/h3-4,11-14,19,23,25,28,30H,5-10,15-16H2,1-2H3,(H,31,32)/t23-,25-/s2
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n/an/an/a 63n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098301
PNG
(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-
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n/an/an/a 79n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098301
PNG
(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-
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n/an/an/a 90n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098250
PNG
(CHEMBL3590389)
Show SMILES Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCCCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1/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-/s2
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n/an/an/a 158n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 in human HUT78 cells incubated for 45 mins by mass spectrometry based bromosphere chemoproteomic assay


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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n/an/an/a 200n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098311
PNG
(CHEMBL3590408)
Show SMILES CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1
Show InChI InChI=1/C27H35N5O4S/c1-17-10-20(13-28-12-17)22-14-29-26(25-21(22)11-18(2)27(33)31-25)30-23-4-7-32(3)15-24(23)36-16-19-5-8-37(34,35)9-6-19/h10-14,19,23-24H,4-9,15-16H2,1-3H3,(H,29,30)(H,31,33)/t23-,24-/s2
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n/an/an/a 200n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098253
PNG
(CHEMBL3590396)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O
Show InChI InChI=1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098253
PNG
(CHEMBL3590396)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O
Show InChI InChI=1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m1/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50096280
PNG
(CHEMBL3585459)
Show SMILES Cc1cc2c(cnc(NC3CCNCC3)c2[nH]c1=O)-c1cncc(N)c1
Show InChI InChI=1S/C16H11N7O3/c24-15-14-17-10(16(25)26)6-23(14)11-5-9-7(4-12-19-21-22-20-12)2-1-3-8(9)13(11)18-15/h1-3,6H,4-5H2,(H,18,24)(H,25,26)(H,19,20,21,22)
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n/an/an/a 1.50E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098249
PNG
(CHEMBL3590388)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
Show InChI InChI=1/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/s2
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n/an/an/a 2.30E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50096300
PNG
(CHEMBL3585452)
Show SMILES Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
Show InChI InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
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n/an/an/a 2.50E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098249
PNG
(CHEMBL3590388)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
Show InChI InChI=1/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/s2
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n/an/an/a 2.51E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098249
PNG
(CHEMBL3590388)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
Show InChI InChI=1/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/s2
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n/an/an/a 2.90E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098252
PNG
(CHEMBL3590394)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O
Show InChI InChI=1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
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n/an/an/a 3.16E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098249
PNG
(CHEMBL3590388)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCCC3)c2[nH]c1=O
Show InChI InChI=1/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/s2
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n/an/an/a 3.16E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50098252
PNG
(CHEMBL3590394)
Show SMILES Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2[nH]c1=O
Show InChI InChI=1S/C12H20N2O4/c1-2-3-4-5-6-8-10(18-14-11(8)15)7-9(13)12(16)17/h9H,2-7,13H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
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n/an/an/a 3.20E+3n/an/an/an/an/a



¿Cellzome GmbH, Molecular Discovery Research, GlaxoSmithKline, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50365463
PNG
(CHEMBL1232461)
Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated ATAD2A (981 to 1108 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50380682
PNG
(CHEMBL2017291 | I-BET151 (16))
Show SMILES COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C
Show InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated ATAD2A (981 to 1108 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50092310
PNG
(CHEMBL3581661)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated ATAD2A (981 to 1108 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells by bio-layer interferometr...


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50093447
PNG
(CHEMBL3586700)
Show SMILES Cc1cc2ccnc(NC3CCNCC3)c2[nH]c1=O
Show InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13?,14-,15?,16?,17?,18-,20+,21+/m1/s1
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n/an/an/a 2.10E+4n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to FLAG-6His-Tev-ATAD2 (950 to 1148) (unknown origin) expressed in Escherichia coli BL21 (DE3) by SPR analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50365264
PNG
(CHEMBL1738926)
Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12
Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1
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n/an/an/a>5.00E+4n/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 by isothermal titration calorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030942
PNG
(CHEMBL3356574)
Show SMILES Nc1cccc(c1)-c1n[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18)
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n/an/an/a 3.50E+5n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to ATAD2 (unknown origin) by protein-observe NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030942
PNG
(CHEMBL3356574)
Show SMILES Nc1cccc(c1)-c1n[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C14H12N4/c15-12-8-4-7-11(9-12)14-16-13(17-18-14)10-5-2-1-3-6-10/h1-9H,15H2,(H,16,17,18)
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n/an/an/a 3.50E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030951
PNG
(CHEMBL389723)
Show SMILES c1ccc(cc1)-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C13H9N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h1-9H
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n/an/an/a 4.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030967
PNG
(CHEMBL1338624)
Show SMILES NC1=NC2=C(CCCC2)C2(CCCCC2)S1
Show InChI InChI=1S/C13H20N2S/c14-12-15-11-7-3-2-6-10(11)13(16-12)8-4-1-5-9-13/h1-9H2,(H2,14,15)
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n/an/an/a 4.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030958
PNG
(CHEMBL3356575)
Show SMILES Nc1cccc(c1)-c1nnc(o1)-c1cccs1
Show InChI InChI=1S/C12H9N3OS/c13-9-4-1-3-8(7-9)11-14-15-12(16-11)10-5-2-6-17-10/h1-7H,13H2
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n/an/an/a 4.50E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030935
PNG
(CHEMBL3356577)
Show SMILES COc1ccc2nc(NC(=O)C(C)C)sc2c1
Show InChI InChI=1S/C12H14N2O2S/c1-7(2)11(15)14-12-13-9-5-4-8(16-3)6-10(9)17-12/h4-7H,1-3H3,(H,13,14,15)
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n/an/an/a 4.50E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030937
PNG
(CHEMBL3356579)
Show SMILES CC1(C)CNC(=O)c2sc(N)nc2C1
Show InChI InChI=1S/C9H13N3OS/c1-9(2)3-5-6(7(13)11-4-9)14-8(10)12-5/h3-4H2,1-2H3,(H2,10,12)(H,11,13)
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n/an/an/a 5.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030936
PNG
(CHEMBL3356578)
Show SMILES CC(C)(C)c1csc(NC(=O)C2CCC2)n1
Show InChI InChI=1S/C12H18N2OS/c1-12(2,3)9-7-16-11(13-9)14-10(15)8-5-4-6-8/h7-8H,4-6H2,1-3H3,(H,13,14,15)
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n/an/an/a 5.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030959
PNG
(CHEMBL3356576)
Show SMILES Nc1ccccc1-c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C13H10N4O/c14-11-4-2-1-3-10(11)13-17-16-12(18-13)9-5-7-15-8-6-9/h1-8H,14H2
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n/an/an/a 6.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030938
PNG
(CHEMBL2335381)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N
Show InChI InChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3
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n/an/an/a 6.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030939
PNG
(CHEMBL3356571)
Show SMILES Cc1cc2ncccc2nc1O
Show InChI InChI=1S/C9H8N2O/c1-6-5-8-7(11-9(6)12)3-2-4-10-8/h2-5H,1H3,(H,11,12)
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n/an/an/a 6.00E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030940
PNG
(CHEMBL3356572)
Show SMILES CCN1C(=O)CCc2cc(N)ccc12
Show InChI InChI=1S/C11H14N2O/c1-2-13-10-5-4-9(12)7-8(10)3-6-11(13)14/h4-5,7H,2-3,6,12H2,1H3
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n/an/an/a 6.50E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens)
BDBM50030941
PNG
(CHEMBL3356573)
Show SMILES Nc1ccc2CCCN(C(=O)C3CC3)c2c1
Show InChI InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
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n/an/an/a 6.50E+5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human ATAD2 (979 to 1108 aa) expressed in Escherichia coli BL21 (DE3) by SOFAST-HMQC NMR spectroscopy


Citation and Details
More data for this
Ligand-Target Pair