Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'breen' and Initial = 'j'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357934 (CHEMBL1916532) Show SMILES COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 Show InChI InChI=1S/C24H28FN5O3/c1-31-23-3-2-20-24(29-23)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357933 (CHEMBL1916533) Show SMILES COc1ccc2ncc(F)c(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2n1 Show InChI InChI=1S/C24H27FN6O3/c1-33-22-5-3-19-23(30-22)17(18(25)13-27-19)8-11-31-9-6-15(7-10-31)26-12-16-2-4-20-24(28-16)29-21(32)14-34-20/h2-5,13,15,26H,6-12,14H2,1H3,(H,28,29,32)	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357930 (CHEMBL1916536) Show SMILES COc1ccc2SCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1 Show InChI InChI=1S/C24H30N4O4S/c1-30-19-2-3-23-20(13-19)28(24(29)16-33-23)9-8-27-6-4-17(5-7-27)25-14-18-12-21-22(15-26-18)32-11-10-31-21/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50352066 (CHEMBL1824043) Show SMILES Fc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H26FN5O4/c24-15-1-3-19-18(11-15)29(22(31)14-33-19)10-9-28-7-5-16(6-8-28)25-12-17-2-4-20-23(26-17)27-21(30)13-32-20/h1-4,11,16,25H,5-10,12-14H2,(H,26,27,30)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50352067 (CHEMBL1824044) Show SMILES COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H29N5O5/c1-32-18-3-5-20-19(12-18)29(23(31)15-34-20)11-10-28-8-6-16(7-9-28)25-13-17-2-4-21-24(26-17)27-22(30)14-33-21/h2-5,12,16,25H,6-11,13-15H2,1H3,(H,26,27,30)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357932 (CHEMBL1916534) Show SMILES COc1ccc2OCC(=O)N(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1 Show InChI InChI=1S/C24H30N4O5/c1-30-19-2-3-21-20(13-19)28(24(29)16-33-21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(15-26-18)32-11-10-31-22/h2-3,12-13,15,17,25H,4-11,14,16H2,1H3	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395412 (CHEMBL2164745) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21+/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	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395418 (CHEMBL2164739) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-3-4-19-20(10-16)31(23(33)12-27-19)9-8-30-7-6-18(17(25)13-30)26-11-15-2-5-21-24(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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357924 (CHEMBL1916542) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1 Show InChI InChI=1S/C24H29N5O4/c1-31-19-2-3-20-21(13-19)29(24(30)16-27-20)9-8-28-6-4-17(5-7-28)25-14-18-12-22-23(15-26-18)33-11-10-32-22/h2-3,12-13,15-17,25H,4-11,14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357931 (CHEMBL1916535) Show SMILES O=C1COc2ccccc2N1CCN1CCC(CC1)NCc1cc2OCCOc2cn1 Show InChI InChI=1S/C23H28N4O4/c28-23-16-31-20-4-2-1-3-19(20)27(23)10-9-26-7-5-17(6-8-26)24-14-18-13-21-22(15-25-18)30-12-11-29-21/h1-4,13,15,17,24H,5-12,14,16H2	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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357926 (CHEMBL1916540) Show SMILES COc1ccc2c(C)cc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1 Show InChI InChI=1S/C26H32N4O4/c1-18-13-26(31)30(23-15-21(32-2)3-4-22(18)23)10-9-29-7-5-19(6-8-29)27-16-20-14-24-25(17-28-20)34-12-11-33-24/h3-4,13-15,17,19,27H,5-12,16H2,1-2H3	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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395395 (CHEMBL2163364) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4ccc5OCC(=O)Nc5n4)[C@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-3-4-19-20(10-16)31(23(33)12-27-19)9-8-30-7-6-18(17(25)13-30)26-11-15-2-5-21-24(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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395401 (CHEMBL2165061) Show SMILES CO[C@@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H30N6O5/c1-34-17-4-5-18-20(11-17)31(24(33)13-27-18)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-6-21-25(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	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357929 (CHEMBL1916537) Show SMILES COc1ccc2CCC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C25H31N5O4/c1-33-20-5-2-17-3-7-24(32)30(21(17)14-20)13-12-29-10-8-18(9-11-29)26-15-19-4-6-22-25(27-19)28-23(31)16-34-22/h2,4-6,14,18,26H,3,7-13,15-16H2,1H3,(H,27,28,31)	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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357923 (CHEMBL1914480) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 Show InChI InChI=1S/C23H28N6O4/c1-31-21-3-2-18-23(27-21)29(22(30)15-26-18)9-8-28-6-4-16(5-7-28)24-13-17-12-19-20(14-25-17)33-11-10-32-19/h2-3,12,14-16,24H,4-11,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395394 (CHEMBL2165067) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4ccc5OCC(=O)Nc5n4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H27FN6O4/c1-34-16-3-4-19-20(10-16)31(23(33)12-27-19)9-8-30-7-6-18(17(25)13-30)26-11-15-2-5-21-24(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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398957 (CHEMBL2179281) Show SMILES CCCCC[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Br)c2)c1 |r| Show InChI InChI=1S/C29H34BrN3O5/c1-3-4-5-11-25(32-14-7-9-22(18-32)33-17-19(2)27(34)31-29(33)37)20-12-13-24(28(35)36)26(15-20)38-23-10-6-8-21(30)16-23/h6,8,10,12-13,15-17,22,25H,3-5,7,9,11,14,18H2,1-2H3,(H,35,36)(H,31,34,37)/t22-,25+/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	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50023584 (CHEMBL3341839) Show SMILES COc1ccc2ncc(=O)n(CC(N)C3(F)CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 |(19.03,-29.95,;20.37,-29.18,;21.7,-29.95,;21.7,-31.49,;23.03,-32.26,;24.37,-31.5,;25.71,-32.27,;27.06,-31.49,;27.05,-29.93,;28.38,-29.16,;25.7,-29.16,;25.69,-27.62,;27.02,-26.84,;28.36,-27.6,;27.01,-25.3,;28.33,-26.06,;28.34,-24.53,;28.34,-22.99,;27,-22.22,;25.67,-23,;25.67,-24.54,;27,-20.68,;28.33,-19.91,;29.67,-20.68,;29.66,-22.23,;30.99,-22.99,;32.32,-22.22,;33.66,-22.99,;35,-22.22,;35,-20.67,;36.33,-19.9,;33.65,-19.89,;32.32,-20.67,;30.99,-19.91,;24.36,-29.94,;23.03,-29.18,)| Show InChI InChI=1S/C25H29FN6O4/c1-35-17-3-4-18-19(10-17)32(23(34)12-29-18)13-21(27)25(26)8-6-15(7-9-25)28-11-16-2-5-20-24(30-16)31-22(33)14-36-20/h2-5,10,12,15,21,28H,6-9,11,13-14,27H2,1H3,(H,30,31,33)	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 cell-based patch clamp method				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357925 (CHEMBL1916541) Show SMILES COc1ccc2c(C)nc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1 Show InChI InChI=1S/C25H31N5O4/c1-17-21-4-3-20(32-2)14-22(21)30(25(31)28-17)10-9-29-7-5-18(6-8-29)26-15-19-13-23-24(16-27-19)34-12-11-33-23/h3-4,13-14,16,18,26H,5-12,15H2,1-2H3	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	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395413 (CHEMBL2164744) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,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	>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 Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357919 (CHEMBL1916546) Show SMILES COc1cc2n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c(=O)ccc2cn1 Show InChI InChI=1S/C24H29N5O4/c1-31-23-13-20-17(14-27-23)2-3-24(30)29(20)9-8-28-6-4-18(5-7-28)25-15-19-12-21-22(16-26-19)33-11-10-32-21/h2-3,12-14,16,18,25H,4-11,15H2,1H3	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	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357918 (CHEMBL1916547) Show SMILES COc1ccc2nnc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C23H27N7O4/c1-33-17-3-4-18-19(12-17)30(23(32)28-27-18)11-10-29-8-6-15(7-9-29)24-13-16-2-5-20-22(25-16)26-21(31)14-34-20/h2-5,12,15,24H,6-11,13-14H2,1H3,(H,25,26,31)	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	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357927 (CHEMBL1916539) Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1 Show InChI InChI=1S/C25H30N4O4/c1-31-21-4-2-18-3-5-25(30)29(22(18)15-21)11-10-28-8-6-19(7-9-28)26-16-20-14-23-24(17-27-20)33-13-12-32-23/h2-5,14-15,17,19,26H,6-13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	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	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 1 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel IKs (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	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	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by cell-based patch clamp method				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					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	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357920 (CHEMBL1916545) Show SMILES COc1ccc2ccc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 Show InChI InChI=1S/C24H29N5O4/c1-31-22-4-2-17-3-5-23(30)29(24(17)27-22)11-10-28-8-6-18(7-9-28)25-15-19-14-20-21(16-26-19)33-13-12-32-20/h2-5,14,16,18,25H,6-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50352077 (CHEMBL1824041) Show SMILES O=C1COc2ccc(CNC3CCN(CCN4C(=O)COc5ccc(cc45)C#N)CC3)nc2N1 Show InChI InChI=1S/C24H26N6O4/c25-12-16-1-3-20-19(11-16)30(23(32)15-34-20)10-9-29-7-5-17(6-8-29)26-13-18-2-4-21-24(27-18)28-22(31)14-33-21/h1-4,11,17,26H,5-10,13-15H2,(H,27,28,31)	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	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357928 (CHEMBL1916538) Show SMILES COc1ccc2COC(=O)N(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H29N5O5/c1-32-19-4-2-16-14-34-24(31)29(20(16)12-19)11-10-28-8-6-17(7-9-28)25-13-18-3-5-21-23(26-18)27-22(30)15-33-21/h2-5,12,17,25H,6-11,13-15H2,1H3,(H,26,27,30)	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	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398958 (CHEMBL2179279) Show SMILES CCC(C)(C)C[C@@H](N1CCC[C@@H](C1)n1cc(C)c(=O)[nH]c1=O)c1ccc(C(O)=O)c(Oc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C30H36ClN3O5/c1-5-30(3,4)16-25(33-13-7-9-22(18-33)34-17-19(2)27(35)32-29(34)38)20-11-12-24(28(36)37)26(14-20)39-23-10-6-8-21(31)15-23/h6,8,10-12,14-15,17,22,25H,5,7,9,13,16,18H2,1-4H3,(H,36,37)(H,32,35,38)/t22-,25+/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	4.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					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 Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395393 (CHEMBL2165068) Show SMILES F[C@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/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	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]-astemizole from human ERG expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Thymidylate kinase (Homo sapiens (Human))	BDBM50398959 (CHEMBL2179277) Show SMILES Cc1cn([C@H]2CCCN(C2)[C@H](CC(C)(C)C)c2ccc(C(O)=O)c(Oc3cccc(Br)c3)c2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C29H34BrN3O5/c1-18-16-33(28(37)31-26(18)34)21-8-6-12-32(17-21)24(15-29(2,3)4)19-10-11-23(27(35)36)25(13-19)38-22-9-5-7-20(30)14-22/h5,7,9-11,13-14,16,21,24H,6,8,12,15,17H2,1-4H3,(H,35,36)(H,31,34,37)/t21-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human thymidylate kinase assessed as effect on ATP production by Escherichia coli DdlA and Malachite green reagent based assay				J Med Chem 55: 10010-21 (2012) Article DOI: 10.1021/jm3011806 BindingDB Entry DOI: 10.7270/Q2BR8T99
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395406 (CHEMBL2165056) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,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	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395419 (CHEMBL2165069) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@H](NCc4cc5OCCOc5cn4)[C@@H](F)C3)c2c1 |r| Show InChI InChI=1S/C24H28FN5O4/c1-32-17-2-3-20-21(11-17)30(24(31)14-28-20)7-6-29-5-4-19(18(25)15-29)27-12-16-10-22-23(13-26-16)34-9-8-33-22/h2-3,10-11,13-14,18-19,27H,4-9,12,15H2,1H3/t18-,19-/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	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50357921 (CHEMBL1916544) Show SMILES COc1ncc2ncc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2n1 Show InChI InChI=1S/C22H27N7O4/c1-31-22-26-12-17-21(27-22)29(20(30)14-25-17)7-6-28-4-2-15(3-5-28)23-11-16-10-18-19(13-24-16)33-9-8-32-18/h10,12-15,23H,2-9,11H2,1H3	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	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of human ERG by ionworks HT assay				J Med Chem 54: 7834-47 (2011) Article DOI: 10.1021/jm2008826 BindingDB Entry DOI: 10.7270/Q2H41RVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395405 (CHEMBL2165057) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@H]1NCc1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C25H30N6O5/c1-34-17-4-5-18-20(11-17)31(24(33)13-27-18)10-9-30-8-7-19(22(14-30)35-2)26-12-16-3-6-21-25(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	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Cav1.2 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395402 (CHEMBL2165060) Show SMILES CO[C@H]1CN(CCn2c3cc(OC)ccc3ncc2=O)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H31N5O5/c1-32-18-3-4-19-21(12-18)30(25(31)15-28-19)8-7-29-6-5-20(24(16-29)33-2)27-13-17-11-22-23(14-26-17)35-10-9-34-22/h3-4,11-12,14-15,20,24,27H,5-10,13,16H2,1-2H3/t20-,24-/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	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50023585 (CHEMBL3355578) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1)[C@H](N)Cn1c2cc(OC)cnc2ccc1=O |r,wD:4.7,20.23,1.0,(10.19,-26.31,;8.87,-25.54,;7.53,-24.78,;7.53,-23.24,;8.86,-22.47,;10.19,-23.23,;10.2,-24.77,;8.86,-20.93,;10.19,-20.15,;11.52,-20.92,;11.52,-22.47,;12.85,-23.24,;14.18,-22.47,;15.51,-23.24,;16.86,-22.46,;16.86,-20.91,;18.19,-20.14,;15.51,-20.13,;14.18,-20.92,;12.84,-20.16,;8.88,-27.08,;10.21,-27.85,;7.55,-27.86,;7.56,-29.4,;6.22,-30.19,;4.89,-29.42,;3.56,-30.19,;2.22,-29.42,;.89,-30.19,;3.56,-31.74,;4.89,-32.51,;6.23,-31.74,;7.57,-32.51,;8.91,-31.73,;8.91,-30.18,;10.24,-29.4,)| Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/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 cell-based patch clamp method				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB 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 potassium channel Nav1.5 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily D member 3 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Kv4.3 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50395399 (CHEMBL2165063) Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1 Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)	PDB UniProtKB/SwissProt 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 potassium channel Kv1.5 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50023589 (CHEMBL3355573) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)| Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1	PDB UniProtKB/SwissProt 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 potassium channel Kv1.5 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H (Homo sapiens (Human))	BDBM50023589 (CHEMBL3355573) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)| Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1	PDB UniProtKB/SwissProt 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 potassium channel Cav3.2 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily D member 3 (Homo sapiens (Human))	BDBM50023589 (CHEMBL3355573) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)| Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/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 potassium channel Kv4.3 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50395409 (CHEMBL2164748) Show SMILES COc1ccc2ncc(=O)n(CCN3CC[C@@H](NCc4cc5OCCOc5cn4)[C@H](O)C3)c2c1 |r| Show InChI InChI=1S/C24H29N5O5/c1-32-17-2-3-18-20(11-17)29(24(31)14-27-18)7-6-28-5-4-19(21(30)15-28)26-12-16-10-22-23(13-25-16)34-9-8-33-22/h2-3,10-11,13-14,19,21,26,30H,4-9,12,15H2,1H3/t19-,21-/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 Ionworks assay				J Med Chem 55: 6916-33 (2012) Article DOI: 10.1021/jm300690s BindingDB Entry DOI: 10.7270/Q23B6188
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50023593 (CHEMBL3355568) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(OC)ccc2ccc1=O |r,wU:20.23,wD:4.7,1.0,(31.65,-8.82,;30.32,-8.05,;28.98,-7.29,;28.98,-5.75,;30.32,-4.97,;31.65,-5.74,;31.65,-7.28,;30.31,-3.44,;31.64,-2.66,;32.98,-3.43,;32.97,-4.98,;34.31,-5.74,;35.63,-4.98,;36.97,-5.74,;38.31,-4.97,;38.31,-3.42,;39.64,-2.65,;36.97,-2.64,;35.63,-3.43,;34.3,-2.66,;30.33,-9.59,;31.67,-10.35,;29,-10.37,;29.01,-11.91,;27.68,-12.7,;26.34,-11.93,;25.01,-12.7,;23.68,-11.93,;22.35,-12.7,;25.01,-14.25,;26.34,-15.02,;27.68,-14.25,;29.02,-15.02,;30.37,-14.24,;30.36,-12.68,;31.69,-11.91,)| Show InChI InChI=1S/C25H30N6O4/c1-34-18-8-4-16-5-9-24(33)31(20(16)10-18)13-19(26)15-2-6-17(7-3-15)27-12-22-28-11-21-25(29-22)30-23(32)14-35-21/h4-5,8-11,15,17,19,27H,2-3,6-7,12-14,26H2,1H3,(H,28,29,30,32)/t15-,17-,19-/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 cell-based patch clamp method				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 (Homo sapiens (Human))	BDBM50023589 (CHEMBL3355573) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)| Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 potassium channel HCN4 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
					More data for this Ligand-Target Pair

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