Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50019047   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614909 (CHEMBL5275946) Show SMILES CCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614910 (CHEMBL5275915) Show SMILES CCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614909 (CHEMBL5275946) Show SMILES CCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614910 (CHEMBL5275915) Show SMILES CCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614899 (CHEMBL5284856) Show SMILES CCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614900 (CHEMBL5282131) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccccc2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614898 (CHEMBL5285507) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(F)cc2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM13075 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	4.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614901 (CHEMBL5276945) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2cccs2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614901 (CHEMBL5276945) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2cccs2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614908 (CHEMBL5276914) Show SMILES CCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614908 (CHEMBL5276914) Show SMILES CCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM25902 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614897 (CHEMBL5281122) Show SMILES CCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614907 (CHEMBL5283699) Show SMILES CCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4.53E+4	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614906 (CHEMBL5281138) Show SMILES CCCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	2.36E+5	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614905 (CHEMBL5271611) Show SMILES CCCCCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	5.82E+4	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614904 (CHEMBL5275408) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.07E+5	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614903 (CHEMBL5270332) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NC2CCCCC2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614902 (CHEMBL5283164) Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(Cl)cc2)cc1Cl Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614896 (CHEMBL5280319) Show SMILES CCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	7.33E+4	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM25902 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair				3D Structure (crystal)
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50366480 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a
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CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50614895 (CHEMBL5276106) Show SMILES CCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	n/a	4.37E+4	n/a	n/a	n/a	n/a
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