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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'harner' and Initial = 'mj'   
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))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
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


J Med Chem 57: 9687-92 (2014)


Article DOI: 10.1021/jm501035j
BindingDB Entry DOI: 10.7270/Q29Z96G7
More data for this
Ligand-Target Pair