Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'hoffner' and Initial = 's'   

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
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385299 (CHEMBL2035464 | US8592468, EbSe16) Show SMILES O=c1n(CCCCCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C20H20N2O2Se2/c23-19-15-9-3-5-11-17(15)25-21(19)13-7-1-2-8-14-22-20(24)16-10-4-6-12-18(16)26-22/h3-6,9-12H,1-2,7-8,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	10	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385302 (CHEMBL2035461 | US8592468, EbSe15) Show SMILES O=c1n(CCCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C17H14N2O2Se2/c20-16-12-6-1-3-8-14(12)22-18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)23-19/h1-4,6-9H,5,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	40	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM50385303 (CHEMBL2035460 | US8592468, EbSe14) Show SMILES O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12 Show InChI InChI=1S/C16H12N2O2Se2/c19-15-11-5-1-3-7-13(11)21-17(15)9-10-18-16(20)12-6-2-4-8-14(12)22-18/h1-8H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	50	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106948 (US8592468, EbSe12) Show SMILES [O-][N+](=O)c1cccnc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C12H7N3O3Se/c16-12-8-4-1-2-6-10(8)19-14(12)11-9(15(17)18)5-3-7-13-11/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	250	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106941 (US8592468, EbSe8) Show SMILES Cc1cc(Cl)ccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H10ClNOSe/c1-9-8-10(15)6-7-12(9)16-14(17)11-4-2-3-5-13(11)18-16/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	250	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	300	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106940 (US8592468, EbSe7) Show SMILES Clc1ccc(cc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C13H8ClNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	550	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106944 (US8592468, EbSe2) Show SMILES O=c1[nH][se]c2ccccc12 Show InChI InChI=1S/C7H5NOSe/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.00E+3	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106942 (US8592468, EbSe9) Show SMILES O=COc1ccccc1-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H9NO3Se/c16-9-18-12-7-3-2-6-11(12)15-14(17)10-5-1-4-8-13(10)19-15/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20E+3	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106949 (US8592468, EbSe13) Show SMILES O=c1n([se]c2ccccc12)-c1ccncc1 Show InChI InChI=1S/C12H8N2OSe/c15-12-10-3-1-2-4-11(10)16-14(12)9-5-7-13-8-6-9/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.50E+3	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106943 (US8592468, EbSe10 | acs.jmedchem.1c00409_ST.159) Show SMILES OC(=O)c1ccc(cc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C14H9NO3Se/c16-13-11-3-1-2-4-12(11)19-15(13)10-7-5-9(6-8-10)14(17)18/h1-8H,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018442 (CHEMBL3286436) Show SMILES COc1cc(C#N)c2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1 Show InChI InChI=1S/C26H28N6O2/c1-18-20(14-27)11-19(16-29-18)17-30-22-5-7-31(8-6-22)9-10-32-25-13-23(34-2)12-21(15-28)24(25)3-4-26(32)33/h3-4,11-13,16,22,30H,5-10,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018290 (CHEMBL3290338) Show SMILES Cc1nc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)ccc1C#N Show InChI InChI=1S/C25H26N6O/c1-18-21(16-27)4-6-23(29-18)17-28-22-8-10-30(11-9-22)12-13-31-24-14-19(15-26)2-3-20(24)5-7-25(31)32/h2-7,14,22,28H,8-13,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018440 (CHEMBL3290342) Show SMILES COc1ccc2n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c(=O)ccc2n1 Show InChI InChI=1S/C24H28N6O2/c1-17-19(14-25)13-18(15-26-17)16-27-20-7-9-29(10-8-20)11-12-30-22-4-5-23(32-2)28-21(22)3-6-24(30)31/h3-6,13,15,20,27H,7-12,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018444 (CHEMBL3290345) Show SMILES COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(OC)c(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N6O3/c1-32-20-12-22-21(27-16-20)3-4-23(31)30(22)10-9-29-7-5-19(6-8-29)26-14-17-11-18(13-25)24(33-2)28-15-17/h3-4,11-12,15-16,19,26H,5-10,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018447 (CHEMBL3290347) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2n1 Show InChI InChI=1S/C23H27N7O2/c1-16-18(12-24)11-17(13-25-16)14-26-19-5-7-29(8-6-19)9-10-30-22(31)15-27-20-3-4-21(32-2)28-23(20)30/h3-4,11,13,15,19,26H,5-10,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106945 (US8592468, EbSe3) Show SMILES Cn1[se]c2ccccc2c1=O Show InChI InChI=1S/C8H7NOSe/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106946 (US8592468, EbSe4) Show SMILES CC(C)(C)n1[se]c2ccccc2c1=O Show InChI InChI=1S/C11H13NOSe/c1-11(2,3)12-10(13)8-6-4-5-7-9(8)14-12/h4-7H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018288 (CHEMBL3290336) Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C24H28N6O4/c1-33-21-6-2-16-3-7-22(32)30(24(16)28-21)13-12-29-10-8-17(9-11-29)25-14-18-4-5-19-23(26-18)27-20(31)15-34-19/h2-7,17,25H,8-15H2,1H3,(H,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018407 (CHEMBL3290339) Show SMILES Cc1ncc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)cc1C#N Show InChI InChI=1S/C25H26N6O/c1-18-22(15-27)12-20(16-28-18)17-29-23-6-8-30(9-7-23)10-11-31-24-13-19(14-26)2-3-21(24)4-5-25(31)32/h2-5,12-13,16,23,29H,6-11,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018441 (CHEMBL3290343) Show SMILES Cc1ncc(CNC2CCN(CCn3c4ccc(=O)n(C)c4ccc3=O)CC2)cc1C#N Show InChI InChI=1S/C24H28N6O2/c1-17-19(14-25)13-18(15-26-17)16-27-20-7-9-29(10-8-20)11-12-30-22-4-5-23(31)28(2)21(22)3-6-24(30)32/h3-6,13,15,20,27H,7-12,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Thioredoxin reductase (Escherichia coli (strain K12))	BDBM106947 (US8592468, EbSe11) Show SMILES Clc1ccc(nc1)-n1[se]c2ccccc2c1=O Show InChI InChI=1S/C12H7ClN2OSe/c13-8-5-6-11(14-7-8)15-12(16)9-3-1-2-4-10(9)17-15/h1-7H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Thioredoxin Systems AB US Patent					Assay Description All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB ...				US Patent US8592468 (2013) BindingDB Entry DOI: 10.7270/Q29P3081
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395400 (CHEMBL2165062) Show SMILES O=c1ccc2ccc(cc2n1CCN1CCC(CC1)NCc1cc2OCCOc2cn1)C#N Show InChI InChI=1S/C25H27N5O3/c26-15-18-1-2-19-3-4-25(31)30(22(19)13-18)10-9-29-7-5-20(6-8-29)27-16-21-14-23-24(17-28-21)33-12-11-32-23/h1-4,13-14,17,20,27H,5-12,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018439 (CHEMBL3290341) Show SMILES COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N6O2/c1-17-19(13-25)11-18(14-26-17)15-27-20-5-7-29(8-6-20)9-10-30-23-12-21(32-2)16-28-22(23)3-4-24(30)31/h3-4,11-12,14,16,20,27H,5-10,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018422 (CHEMBL3290340) Show SMILES Cc1ncc(CNC2CCN(CCn3c4cc(F)cnc4ccc3=O)CC2)cc1C#N Show InChI InChI=1S/C23H25FN6O/c1-16-18(12-25)10-17(13-26-16)14-27-20-4-6-29(7-5-20)8-9-30-22-11-19(24)15-28-21(22)2-3-23(30)31/h2-3,10-11,13,15,20,27H,4-9,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018446 (CHEMBL3290346) Show SMILES COc1cnc2ccc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(n3)C#N)c2c1 Show InChI InChI=1S/C23H27N7O2/c1-16-21(12-24)28-18(13-25-16)14-26-17-5-7-29(8-6-17)9-10-30-22-11-19(32-2)15-27-20(22)3-4-23(30)31/h3-4,11,13,15,17,26H,5-10,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018443 (CHEMBL3290344) Show SMILES COc1cnc2ccc(=O)n(CCN3CCC(CC3)NC(=O)c3cnc(C)c(c3)C#N)c2c1 Show InChI InChI=1S/C24H26N6O3/c1-16-17(13-25)11-18(14-26-16)24(32)28-19-5-7-29(8-6-19)9-10-30-22-12-20(33-2)15-27-21(22)3-4-23(30)31/h3-4,11-12,14-15,19H,5-10H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018483 (CHEMBL3290351) Show SMILES COc1cnc2ccc(=O)n(CCN3CC[C@@H](NCc4cnc(C)c(c4)C#N)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O2/c1-16-18(11-26)9-17(12-27-16)13-28-21-5-6-30(15-20(21)25)7-8-31-23-10-19(33-2)14-29-22(23)3-4-24(31)32/h3-4,9-10,12,14,20-21,28H,5-8,13,15H2,1-2H3/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50018407 (CHEMBL3290339) Show SMILES Cc1ncc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)cc1C#N Show InChI InChI=1S/C25H26N6O/c1-18-22(15-27)12-20(16-28-18)17-29-23-6-8-30(9-7-23)10-11-31-24-13-19(14-26)2-3-21(24)4-5-25(31)32/h2-5,12-13,16,23,29H,6-11,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase-B ATPase activity				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50018290 (CHEMBL3290338) Show SMILES Cc1nc(CNC2CCN(CCn3c4cc(ccc4ccc3=O)C#N)CC2)ccc1C#N Show InChI InChI=1S/C25H26N6O/c1-18-21(16-27)4-6-23(29-18)17-28-22-8-10-30(11-9-22)12-13-31-24-14-19(15-26)2-3-20(24)5-7-25(31)32/h2-7,14,22,28H,8-13,17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase-B ATPase activity				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50018289 (CHEMBL3290337) Show SMILES O=C1COc2ccc(CNC3CCN(CCn4c5cc(ccc5ccc4=O)C#N)CC3)nc2N1 Show InChI InChI=1S/C25H26N6O3/c26-14-17-1-2-18-3-6-24(33)31(21(18)13-17)12-11-30-9-7-19(8-10-30)27-15-20-4-5-22-25(28-20)29-23(32)16-34-22/h1-6,13,19,27H,7-12,15-16H2,(H,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase-B ATPase activity				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50018288 (CHEMBL3290336) Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C24H28N6O4/c1-33-21-6-2-16-3-7-22(32)30(24(16)28-21)13-12-29-10-8-17(9-11-29)25-14-18-4-5-19-23(26-18)27-20(31)15-34-19/h2-7,17,25H,8-15H2,1H3,(H,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase-B ATPase activity				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50395400 (CHEMBL2165062) Show SMILES O=c1ccc2ccc(cc2n1CCN1CCC(CC1)NCc1cc2OCCOc2cn1)C#N Show InChI InChI=1S/C25H27N5O3/c26-15-18-1-2-19-3-4-25(31)30(22(19)13-18)10-9-29-7-5-20(6-8-29)27-16-21-14-23-24(17-28-21)33-12-11-32-23/h1-4,13-14,17,20,27H,5-12,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA gyrase-B ATPase activity				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018489 (CHEMBL3290357) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H30N6O5/c1-34-17-11-20-18(27-13-17)4-6-24(33)31(20)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-5-21-25(28-16)29-23(32)15-36-21/h3-6,11,13,19,22,26H,7-10,12,14-15H2,1-2H3,(H,28,29,32)/t19-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018488 (CHEMBL3290356) Show SMILES COc1cnc2ccc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-10-20-19(27-12-16)3-5-23(33)31(20)9-8-30-7-6-18(17(25)13-30)26-11-15-2-4-21-24(28-15)29-22(32)14-35-21/h2-5,10,12,17-18,26H,6-9,11,13-14H2,1H3,(H,28,29,32)/t17-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018487 (CHEMBL3290355) Show SMILES COc1cnc2ccc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-10-20-19(27-12-16)3-5-23(33)31(20)9-8-30-7-6-18(17(25)13-30)26-11-15-2-4-21-24(28-15)29-22(32)14-35-21/h2-5,10,12,17-18,26H,6-9,11,13-14H2,1H3,(H,28,29,32)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018486 (CHEMBL3290354) Show SMILES F[C@@H]1CN(CCn2c3cc(F)cnc3ccc2=O)CC[C@@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C23H24F2N6O3/c24-14-9-19-18(26-10-14)2-4-22(33)31(19)8-7-30-6-5-17(16(25)12-30)27-11-15-1-3-20-23(28-15)29-21(32)13-34-20/h1-4,9-10,16-17,27H,5-8,11-13H2,(H,28,29,32)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018485 (CHEMBL3290353) Show SMILES F[C@H]1CN(CCn2c3cc(F)cnc3ccc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C23H24F2N6O3/c24-14-9-19-18(26-10-14)2-4-22(33)31(19)8-7-30-6-5-17(16(25)12-30)27-11-15-1-3-20-23(28-15)29-21(32)13-34-20/h1-4,9-10,16-17,27H,5-8,11-13H2,(H,28,29,32)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018448 (CHEMBL3290348) Show SMILES COc1cnc2ncc(=O)n(CCN3CCC(CC3)NCc3cnc(C)c(c3)C#N)c2c1 Show InChI InChI=1S/C23H27N7O2/c1-16-18(11-24)9-17(12-25-16)13-26-19-3-5-29(6-4-19)7-8-30-21-10-20(32-2)14-27-23(21)28-15-22(30)31/h9-10,12,14-15,19,26H,3-8,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018481 (CHEMBL3290349) Show SMILES Cc1ncc(CN[C@@H]2CCN(CCn3c4cc(ccc4ccc3=O)C#N)C[C@@H]2F)cc1C#N |r| Show InChI InChI=1S/C25H25FN6O/c1-17-21(13-28)10-19(14-29-17)15-30-23-6-7-31(16-22(23)26)8-9-32-24-11-18(12-27)2-3-20(24)4-5-25(32)33/h2-5,10-11,14,22-23,30H,6-9,15-16H2,1H3/t22-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018482 (CHEMBL3290350) Show SMILES Cc1ncc(CN[C@@H]2CCN(CCn3c4cc(F)cnc4ccc3=O)C[C@@H]2F)cc1C#N |r| Show InChI InChI=1S/C23H24F2N6O/c1-15-17(10-26)8-16(11-27-15)12-28-20-4-5-30(14-19(20)25)6-7-31-22-9-18(24)13-29-21(22)2-3-23(31)32/h2-3,8-9,11,13,19-20,28H,4-7,12,14H2,1H3/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50018484 (CHEMBL3290352) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)cnc3ccc2=O)CC[C@H]1NCc1cnc(C)c(c1)C#N |r| Show InChI InChI=1S/C25H30N6O3/c1-17-19(12-26)10-18(13-27-17)14-28-22-6-7-30(16-24(22)34-3)8-9-31-23-11-20(33-2)15-29-21(23)4-5-25(31)32/h4-5,10-11,13,15,22,24,28H,6-9,14,16H2,1-3H3/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp electrophysiological analysis				J Med Chem 57: 4889-905 (2014) Article DOI: 10.1021/jm500432n BindingDB Entry DOI: 10.7270/Q2416ZM4
					More data for this Ligand-Target Pair