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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50008013   
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
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514871
PNG
(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 |r|
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
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n/an/a 25n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514857
PNG
(CHEMBL4449894)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)ccc1Br |r|
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
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n/an/a 63n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514885
PNG
(CHEMBL4589592)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)ccc1Br |r|
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
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514870
PNG
(CHEMBL4565203)
Show SMILES C[C@]1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCC2)C1=O)C1CC1 |r|
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
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n/an/a 251n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514863
PNG
(CHEMBL4464650)
Show SMILES C[C@@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
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
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514864
PNG
(CHEMBL4521850)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCC(C1)C1CC1
Show InChI InChI=1S/C18H21ClN4O5S/c19-14-4-3-13(21-16(24)10-23-17(25)8-20-18(23)26)7-15(14)29(27,28)22-6-5-12(9-22)11-1-2-11/h3-4,7,11-12H,1-2,5-6,8-10H2,(H,20,26)(H,21,24)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514893
PNG
(CHEMBL4463848)
Show SMILES CCC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C17H21ClN4O5S/c1-2-11-5-6-21(9-11)28(26,27)14-7-12(3-4-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h3-4,7,11H,2,5-6,8-10H2,1H3,(H,19,25)(H,20,23)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514895
PNG
(CHEMBL4457036)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
Show InChI InChI=1S/C16H19ClN4O5S/c1-10-4-5-20(8-10)27(25,26)13-6-11(2-3-12(13)17)19-14(22)9-21-15(23)7-18-16(21)24/h2-3,6,10H,4-5,7-9H2,1H3,(H,18,24)(H,19,22)/t10-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514862
PNG
(CHEMBL4464057)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCC2(CC2)C1
Show InChI InChI=1S/C17H19ClN4O5S/c18-12-2-1-11(20-14(23)9-22-15(24)8-19-16(22)25)7-13(12)28(26,27)21-6-5-17(10-21)3-4-17/h1-2,7H,3-6,8-10H2,(H,19,25)(H,20,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514881
PNG
(CHEMBL4464309)
Show SMILES COCC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C17H21ClN4O6S/c1-28-10-11-4-5-21(8-11)29(26,27)14-6-12(2-3-13(14)18)20-15(23)9-22-16(24)7-19-17(22)25/h2-3,6,11H,4-5,7-10H2,1H3,(H,19,25)(H,20,23)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514883
PNG
(CHEMBL4587991)
Show SMILES CC1(NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)C1=O)C1CC1
Show InChI InChI=1S/C19H23ClN4O5S/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)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514852
PNG
(CHEMBL4470476)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cc2noc3ccccc23)ccc1Br |r|
Show InChI InChI=1S/C20H20BrN3O4S/c1-13-8-9-24(12-13)29(26,27)19-10-14(6-7-16(19)21)22-20(25)11-17-15-4-2-3-5-18(15)28-23-17/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514876
PNG
(CHEMBL4454840)
Show SMILES COCc1cnnn1CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
Show InChI InChI=1S/C17H22BrN5O4S/c1-12-5-6-22(9-12)28(25,26)16-7-13(3-4-15(16)18)20-17(24)10-23-14(11-27-2)8-19-21-23/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,20,24)/t12-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514855
PNG
(CHEMBL4445372)
Show SMILES CN(C)CC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C18H24ClN5O5S/c1-22(2)9-12-5-6-23(10-12)30(28,29)15-7-13(3-4-14(15)19)21-16(25)11-24-17(26)8-20-18(24)27/h3-4,7,12H,5-6,8-11H2,1-2H3,(H,20,27)(H,21,25)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514861
PNG
(CHEMBL4555757)
Show SMILES C[C@@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
Show InChI InChI=1S/C16H19ClN4O5S/c1-10-4-5-20(8-10)27(25,26)13-6-11(2-3-12(13)17)19-14(22)9-21-15(23)7-18-16(21)24/h2-3,6,10H,4-5,7-9H2,1H3,(H,18,24)(H,19,22)/t10-/m1/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514872
PNG
(CHEMBL4589461)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2c3ccccc3[nH]c2=O)ccc1Br |r|
Show InChI InChI=1S/C20H21BrN4O4S/c1-13-8-9-24(11-13)30(28,29)18-10-14(6-7-15(18)21)22-19(26)12-25-17-5-3-2-4-16(17)23-20(25)27/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,26)(H,23,27)/t13-/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514868
PNG
(CHEMBL4451776)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C16H18ClN3O5S/c17-12-4-3-11(9-13(12)26(24,25)19-7-1-2-8-19)18-14(21)10-20-15(22)5-6-16(20)23/h3-4,9H,1-2,5-8,10H2,(H,18,21)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514867
PNG
(CHEMBL4584415)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)COC2=O)cc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C15H16ClN3O6S/c16-11-4-3-10(7-12(11)26(23,24)18-5-1-2-6-18)17-13(20)8-19-14(21)9-25-15(19)22/h3-4,7H,1-2,5-6,8-9H2,(H,17,20)
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514866
PNG
(CHEMBL4454629)
Show SMILES CC1NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)C1=O
Show InChI InChI=1S/C16H19ClN4O5S/c1-10-15(23)21(16(24)18-10)9-14(22)19-11-4-5-12(17)13(8-11)27(25,26)20-6-2-3-7-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,24)(H,19,22)
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514859
PNG
(CHEMBL4453574)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCCCCC1
Show InChI InChI=1S/C17H21ClN4O5S/c18-13-6-5-12(20-15(23)11-22-16(24)10-19-17(22)25)9-14(13)28(26,27)21-7-3-1-2-4-8-21/h5-6,9H,1-4,7-8,10-11H2,(H,19,25)(H,20,23)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514875
PNG
(CHEMBL4542904)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2cc(CN(C)C)nn2)ccc1Br |r|
Show InChI InChI=1S/C18H25BrN6O3S/c1-13-6-7-25(9-13)29(27,28)17-8-14(4-5-16(17)19)20-18(26)12-24-11-15(21-22-24)10-23(2)3/h4-5,8,11,13H,6-7,9-10,12H2,1-3H3,(H,20,26)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514882
PNG
(CHEMBL4555249)
Show SMILES CC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)C1=O
Show InChI InChI=1S/C17H21ClN4O5S/c1-17(2)15(24)22(16(25)20-17)10-14(23)19-11-5-6-12(18)13(9-11)28(26,27)21-7-3-4-8-21/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,23)(H,20,25)
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514888
PNG
(CHEMBL4534331)
Show SMILES CCCc1cn(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CC[C@H](C)C2)nn1 |r|
Show InChI InChI=1S/C18H24BrN5O3S/c1-3-4-15-11-23(22-21-15)12-18(25)20-14-5-6-16(19)17(9-14)28(26,27)24-8-7-13(2)10-24/h5-6,9,11,13H,3-4,7-8,10,12H2,1-2H3,(H,20,25)/t13-/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514879
PNG
(CHEMBL4461164)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CCc23)C(C)=O)ccc1Br |r|
Show InChI InChI=1S/C20H25BrN6O4S/c1-13-5-8-26(10-13)32(30,31)19-9-15(3-4-16(19)21)22-20(29)12-27-18-6-7-25(14(2)28)11-17(18)23-24-27/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,22,29)/t13-/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514877
PNG
(CHEMBL4437578)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(C)CCc23)ccc1Br |r|
Show InChI InChI=1S/C19H25BrN6O3S/c1-13-5-8-25(10-13)30(28,29)18-9-14(3-4-15(18)20)21-19(27)12-26-17-6-7-24(2)11-16(17)22-23-26/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,21,27)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514896
PNG
(CHEMBL4514362)
Show SMILES CC(C)N1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
Show InChI InChI=1S/C21H29BrN6O3S/c1-14(2)26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(3)11-27/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514889
PNG
(CHEMBL4463062)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CCN(C)Cc23)ccc1Br |r|
Show InChI InChI=1S/C19H25BrN6O3S/c1-13-5-8-25(10-13)30(28,29)18-9-14(3-4-15(18)20)21-19(27)12-26-17-11-24(2)7-6-16(17)22-23-26/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,21,27)/t13-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514886
PNG
(CHEMBL4446238)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3ccccc23)ccc1Br |r|
Show InChI InChI=1S/C19H20BrN5O3S/c1-13-8-9-24(11-13)29(27,28)18-10-14(6-7-15(18)20)21-19(26)12-25-17-5-3-2-4-16(17)22-23-25/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,26)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514856
PNG
(CHEMBL4465880)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27BrN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514873
PNG
(CHEMBL4436652)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2c3ccccc3oc2=O)ccc1Br |r|
Show InChI InChI=1S/C20H20BrN3O5S/c1-13-8-9-23(11-13)30(27,28)18-10-14(6-7-15(18)21)22-19(25)12-24-16-4-2-3-5-17(16)29-20(24)26/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514880
PNG
(CHEMBL4562898)
Show SMILES C[C@H]1CN(C[C@H]1C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl |r|
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+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514878
PNG
(CHEMBL4518862)
Show SMILES CCN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
Show InChI InChI=1S/C20H27BrN6O3S/c1-3-25-8-7-18-17(12-25)23-24-27(18)13-20(28)22-15-4-5-16(21)19(10-15)31(29,30)26-9-6-14(2)11-26/h4-5,10,14H,3,6-9,11-13H2,1-2H3,(H,22,28)/t14-/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514874
PNG
(CHEMBL4588820)
Show SMILES COCc1cn(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CC[C@H](C)C2)nn1 |r|
Show InChI InChI=1S/C17H22BrN5O4S/c1-12-5-6-23(8-12)28(25,26)16-7-13(3-4-15(16)18)19-17(24)10-22-9-14(11-27-2)20-21-22/h3-4,7,9,12H,5-6,8,10-11H2,1-2H3,(H,19,24)/t12-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514851
PNG
(CHEMBL4525009)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cc2coc3ccccc23)ccc1Br |r|
Show InChI InChI=1S/C21H21BrN2O4S/c1-14-8-9-24(12-14)29(26,27)20-11-16(6-7-18(20)22)23-21(25)10-15-13-28-19-5-3-2-4-17(15)19/h2-7,11,13-14H,8-10,12H2,1H3,(H,23,25)/t14-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514850
PNG
(CHEMBL4472174)
Show SMILES CC1CCCN1S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C16H19ClN4O5S/c1-10-3-2-6-21(10)27(25,26)13-7-11(4-5-12(13)17)19-14(22)9-20-15(23)8-18-16(20)24/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,18,24)(H,19,22)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514898
PNG
(CHEMBL4453989)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C16H19ClN4O5S/c17-12-5-4-11(19-14(22)10-21-15(23)9-18-16(21)24)8-13(12)27(25,26)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9-10H2,(H,18,24)(H,19,22)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514897
PNG
(CHEMBL4558839)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CNCCc23)ccc1Br |r|
Show InChI InChI=1S/C18H23BrN6O3S/c1-12-5-7-24(10-12)29(27,28)17-8-13(2-3-14(17)19)21-18(26)11-25-16-4-6-20-9-15(16)22-23-25/h2-3,8,12,20H,4-7,9-11H2,1H3,(H,21,26)/t12-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514890
PNG
(CHEMBL4537897)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc3CN(CC(F)(F)F)CCc23)ccc1Br |r|
Show InChI InChI=1S/C20H24BrF3N6O3S/c1-13-4-7-29(9-13)34(32,33)18-8-14(2-3-15(18)21)25-19(31)11-30-17-5-6-28(12-20(22,23)24)10-16(17)26-27-30/h2-3,8,13H,4-7,9-12H2,1H3,(H,25,31)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514853
PNG
(CHEMBL4557734)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27BrN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m1/s1
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514858
PNG
(CHEMBL4577486)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27ClN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514891
PNG
(CHEMBL4568195)
Show SMILES CC1(C)CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C17H21ClN4O5S/c1-17(2)5-6-21(10-17)28(26,27)13-7-11(3-4-12(13)18)20-14(23)9-22-15(24)8-19-16(22)25/h3-4,7H,5-6,8-10H2,1-2H3,(H,19,25)(H,20,23)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514892
PNG
(CHEMBL4467940)
Show SMILES CCCc1cnnn1CC(=O)Nc1ccc(Br)c(c1)S(=O)(=O)N1CC[C@H](C)C1 |r|
Show InChI InChI=1S/C18H24BrN5O3S/c1-3-4-15-10-20-22-24(15)12-18(25)21-14-5-6-16(19)17(9-14)28(26,27)23-8-7-13(2)11-23/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,21,25)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514849
PNG
(CHEMBL4441400)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2ccnn2)ccc1Br |r|
Show InChI InChI=1S/C15H18BrN5O3S/c1-11-4-6-21(9-11)25(23,24)14-8-12(2-3-13(14)16)18-15(22)10-20-7-5-17-19-20/h2-3,5,7-8,11H,4,6,9-10H2,1H3,(H,18,22)/t11-/m0/s1
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514894
PNG
(CHEMBL4553980)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nncc2CN(C)C)ccc1Br |r|
Show InChI InChI=1S/C18H25BrN6O3S/c1-13-6-7-24(10-13)29(27,28)17-8-14(4-5-16(17)19)21-18(26)12-25-15(9-20-22-25)11-23(2)3/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,21,26)/t13-/m0/s1
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514887
PNG
(CHEMBL4590565)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2nnc(C)c2C)ccc1Br |r|
Show InChI InChI=1S/C17H22BrN5O3S/c1-11-6-7-22(9-11)27(25,26)16-8-14(4-5-15(16)18)19-17(24)10-23-13(3)12(2)20-21-23/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,19,24)/t11-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514854
PNG
(CHEMBL4545743)
Show SMILES CN1CCc2c(C1)nnn2CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CC[C@H](C1)C1CC1 |r|
Show InChI InChI=1S/C21H27ClN6O3S/c1-26-8-7-19-18(12-26)24-25-28(19)13-21(29)23-16-4-5-17(22)20(10-16)32(30,31)27-9-6-15(11-27)14-2-3-14/h4-5,10,14-15H,2-3,6-9,11-13H2,1H3,(H,23,29)/t15-/m1/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514860
PNG
(CHEMBL4531037)
Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C13H15ClN4O5S/c1-17(2)24(22,23)10-5-8(3-4-9(10)14)16-11(19)7-18-12(20)6-15-13(18)21/h3-5H,6-7H2,1-2H3,(H,15,21)(H,16,19)
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n/an/a 1.26E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514869
PNG
(CHEMBL4567224)
Show SMILES CC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C12H15ClN2O3S/c1-9(16)14-10-4-5-11(13)12(8-10)19(17,18)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514884
PNG
(CHEMBL4454864)
Show SMILES Clc1ccc(NC(=O)CN2CCCC2=O)cc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C16H20ClN3O4S/c17-13-6-5-12(18-15(21)11-19-7-3-4-16(19)22)10-14(13)25(23,24)20-8-1-2-9-20/h5-6,10H,1-4,7-9,11H2,(H,18,21)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514865
PNG
(CHEMBL4442695)
Show SMILES Clc1ccc(NC(=O)CN2C(=O)CNC2=O)cc1S(=O)(=O)n1ccnc1
Show InChI InChI=1S/C14H12ClN5O5S/c15-10-2-1-9(5-11(10)26(24,25)19-4-3-16-8-19)18-12(21)7-20-13(22)6-17-14(20)23/h1-5,8H,6-7H2,(H,17,23)(H,18,21)
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University of Strathclyde

Curated by ChEMBL


Assay 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...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair
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