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Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'menze' and Initial = 'm'   
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
CDGSH iron-sulfur domain-containing protein 2


(Homo sapiens)		BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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n/an/a 2.29E+3n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay

Bioorg Med Chem Lett 29: 901-904 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.041
BindingDB Entry DOI: 10.7270/Q2VH5S73
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 2


(Homo sapiens)		BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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n/an/a 4.80E+3n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay

Bioorg Med Chem Lett 29: 901-904 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.041
BindingDB Entry DOI: 10.7270/Q2VH5S73
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614909
PNG
(CHEMBL5275946)
Show SMILES CCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/a 9.12E+3n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614910
PNG
(CHEMBL5275915)
Show SMILES CCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/a 1.24E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614909
PNG
(CHEMBL5275946)
Show SMILES CCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/a 1.83E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614910
PNG
(CHEMBL5275915)
Show SMILES CCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/a 2.58E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 2


(Homo sapiens)		BDBM50350486
PNG
(CHEMBL602048)
Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)
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n/an/a 2.98E+4n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay

Bioorg Med Chem Lett 29: 901-904 (2019)


Article DOI: 10.1016/j.bmcl.2019.01.041
BindingDB Entry DOI: 10.7270/Q2VH5S73
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614899
PNG
(CHEMBL5284856)
Show SMILES CCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/a 3.06E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614900
PNG
(CHEMBL5282131)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccccc2)cc1Cl
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n/an/a 4.00E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614898
PNG
(CHEMBL5285507)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(F)cc2)cc1Cl
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n/an/a 4.50E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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n/an/a 4.52E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614901
PNG
(CHEMBL5276945)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2cccs2)cc1Cl
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n/an/a 5.43E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614901
PNG
(CHEMBL5276945)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2cccs2)cc1Cl
PDB
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n/an/a 7.42E+4n/an/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614908
PNG
(CHEMBL5276914)
Show SMILES CCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/a 7.86E+4n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614908
PNG
(CHEMBL5276914)
Show SMILES CCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
PDB
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n/an/a 8.14E+4n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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n/an/a 1.02E+5n/an/an/an/an/an/a


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Ligand-Target Pair		3D
3D Structure (crystal)
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614897
PNG
(CHEMBL5281122)
Show SMILES CCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
PDB
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n/an/a 1.90E+5n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM25902
PNG
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
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n/an/an/a 5.30E+4n/an/an/an/an/a


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Ligand-Target Pair		3D
3D Structure (crystal)
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614907
PNG
(CHEMBL5283699)
Show SMILES CCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/an/an/a 4.53E+4n/an/an/an/a


TBA



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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614906
PNG
(CHEMBL5281138)
Show SMILES CCCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/an/an/a 2.36E+5n/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614905
PNG
(CHEMBL5271611)
Show SMILES CCCCCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/an/an/a 5.82E+4n/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614904
PNG
(CHEMBL5275408)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2)cc1Cl
PDB
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n/an/an/an/a 1.07E+5n/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614903
PNG
(CHEMBL5270332)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NC2CCCCC2)cc1Cl
PDB
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n/an/an/an/a 3.49E+4n/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614902
PNG
(CHEMBL5283164)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(Cl)cc2)cc1Cl
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n/an/an/an/a 1.01E+5n/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/a 1.92E+3n/an/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614895
PNG
(CHEMBL5276106)
Show SMILES CCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/an/an/a 4.37E+4n/an/an/an/a


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Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))		BDBM50614896
PNG
(CHEMBL5280319)
Show SMILES CCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O
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n/an/an/an/a 7.33E+4n/an/an/an/a


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Ligand-Target Pair