Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'upton' and Initial = 'a'   

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))	BDBM50537192 (CHEMBL4563167) Show SMILES COc1cccc(n1)C(O)(CCN(C)C)C(c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC Show InChI InChI=1S/C29H30BrN3O5/c1-33(2)14-13-29(34,24-9-6-10-25(32-24)35-3)26(20-7-5-8-23-27(20)38-17-37-23)21-16-18-15-19(30)11-12-22(18)31-28(21)36-4/h5-12,15-16,26,34H,13-14,17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537183 (CHEMBL4575859) Show SMILES COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(ccc2nc1OC)C#N Show InChI InChI=1S/C30H32N4O3/c1-20-8-6-9-22(16-20)27(24-18-23-17-21(19-31)11-12-26(23)33-28(24)36-4)30(35,13-15-34(2)3)25-10-7-14-32-29(25)37-5/h6-12,14,16-18,27,35H,13,15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460275 (CHEMBL4228918) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCOc12)C#N |r| Show InChI InChI=1S/C32H32N2O4/c1-21-7-5-8-24(15-21)30(26-17-25-16-22(19-33)11-12-23(25)18-29(26)36-4)32(35,13-14-34(2)3)27-9-6-10-28-31(27)38-20-37-28/h5-12,15-18,30,35H,13-14,20H2,1-4H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG assessed as prolongation of QT interval				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460282 (CHEMBL4226478) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccc2occc2c1 |r| Show InChI InChI=1S/C31H30BrNO3/c1-33(2)15-14-31(34,25-10-12-28-23(17-25)13-16-36-28)30(21-7-5-4-6-8-21)27-19-24-18-26(32)11-9-22(24)20-29(27)35-3/h4-13,16-20,30,34H,14-15H2,1-3H3/t30-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537180 (CHEMBL4535649) Show SMILES COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC Show InChI InChI=1S/C29H32BrN3O3/c1-19-8-6-9-20(16-19)26(23-18-21-17-22(30)11-12-25(21)32-27(23)35-4)29(34,13-15-33(2)3)24-10-7-14-31-28(24)36-5/h6-12,14,16-18,26,34H,13,15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452142 (CHEMBL4212501) Show SMILES CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H31BrFN3O2S/c1-5-37-26-12-9-19(18-32-26)27(24-16-20-15-22(30)10-11-25(20)33-28(24)36-4)29(35,13-14-34(2)3)21-7-6-8-23(31)17-21/h6-12,15-18,27,35H,5,13-14H2,1-4H3/t27-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460274 (CHEMBL4225434) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCOc12 |r| Show InChI InChI=1S/C31H32BrNO4/c1-20-7-5-8-22(15-20)29(25-17-23-16-24(32)12-11-21(23)18-28(25)35-4)31(34,13-14-33(2)3)26-9-6-10-27-30(26)37-19-36-27/h5-12,15-18,29,34H,13-14,19H2,1-4H3/t29-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452135 (CHEMBL4213428) Show SMILES COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(C)c2)c1OC |r| Show InChI InChI=1S/C30H34BrN3O4/c1-19-8-7-9-21(16-19)30(35,13-15-34(2)3)26(23-12-14-32-29(38-6)27(23)36-4)24-18-20-17-22(31)10-11-25(20)33-28(24)37-5/h7-12,14,16-18,26,35H,13,15H2,1-6H3/t26-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460276 (CHEMBL4226743) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccc2occc2c1 |r| Show InChI InChI=1S/C32H33BrN2O5/c1-35(2)14-12-32(36,23-7-9-27-21(16-23)11-15-40-27)29(25-10-13-34-31(39-5)30(25)38-4)26-18-22-17-24(33)8-6-20(22)19-28(26)37-3/h6-11,13,15-19,29,36H,12,14H2,1-5H3/t29-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460280 (CHEMBL4229114) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cccc2ccoc12)C#N |r| Show InChI InChI=1S/C32H29FN2O3/c1-35(2)14-13-32(36,28-9-5-6-22-12-15-38-31(22)28)30(24-7-4-8-26(33)17-24)27-18-25-16-21(20-34)10-11-23(25)19-29(27)37-3/h4-12,15-19,30,36H,13-14H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460279 (CHEMBL4224771) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r| Show InChI InChI=1S/C31H30BrNO3/c1-33(2)16-15-31(34,27-11-7-10-22-14-17-36-30(22)27)29(21-8-5-4-6-9-21)26-19-24-18-25(32)13-12-23(24)20-28(26)35-3/h4-14,17-20,29,34H,15-16H2,1-3H3/t29-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460283 (CHEMBL4226688) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cc2ccccc2o1 |r| Show InChI InChI=1S/C32H33BrN2O5/c1-35(2)15-13-32(36,28-19-21-8-6-7-9-26(21)40-28)29(24-12-14-34-31(39-5)30(24)38-4)25-17-22-16-23(33)11-10-20(22)18-27(25)37-3/h6-12,14,16-19,29,36H,13,15H2,1-5H3/t29-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452136 (CHEMBL4206467) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1cc(C)c(C)s1)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H30BrFN2O2S/c1-17-13-25(35-18(17)2)26(23-15-19-14-21(29)9-10-24(19)31-27(23)34-5)28(33,11-12-32(3)4)20-7-6-8-22(30)16-20/h6-10,13-16,26,33H,11-12H2,1-5H3/t26-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452140 (CHEMBL4204414) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(nc1)N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H32BrFN4O2/c1-34(2)14-13-29(36,21-7-6-8-23(31)17-21)27(19-9-12-26(32-18-19)35(3)4)24-16-20-15-22(30)10-11-25(20)33-28(24)37-5/h6-12,15-18,27,36H,13-14H2,1-5H3/t27-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460288 (CHEMBL4227540) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1)C#N |r| Show InChI InChI=1S/C32H29FN2O3/c1-35(2)14-13-32(36,30-19-23-7-4-5-10-28(23)38-30)31(24-8-6-9-26(33)16-24)27-17-25-15-21(20-34)11-12-22(25)18-29(27)37-3/h4-12,15-19,31,36H,13-14H2,1-3H3/t31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460281 (CHEMBL4228130) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r| Show InChI InChI=1S/C32H33BrN2O5/c1-35(2)15-13-32(36,26-8-6-7-20-12-16-40-29(20)26)28(24-11-14-34-31(39-5)30(24)38-4)25-18-22-17-23(33)10-9-21(22)19-27(25)37-3/h6-12,14,16-19,28,36H,13,15H2,1-5H3/t28-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460295 (CHEMBL4227762) Show SMILES COc1cc(cnc1OC)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r| Show InChI InChI=1S/C32H33BrN2O5/c1-35(2)13-12-32(36,26-8-6-7-20-11-14-40-30(20)26)29(23-18-28(38-4)31(39-5)34-19-23)25-16-22-15-24(33)10-9-21(22)17-27(25)37-3/h6-11,14-19,29,36H,12-13H2,1-5H3/t29-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192998 (CHEMBL3933716) Show SMILES COc1ccc(CCNc2nc3cc(OC)ccc3c(=O)n2C)cc1 Show InChI InChI=1S/C19H21N3O3/c1-22-18(23)16-9-8-15(25-3)12-17(16)21-19(22)20-11-10-13-4-6-14(24-2)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...				Bioorg Med Chem Lett 26: 5290-5299 (2016) Article DOI: 10.1016/j.bmcl.2016.09.043 BindingDB Entry DOI: 10.7270/Q2H70HS6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460286 (CHEMBL4228555) Show SMILES CCOc1cc(cc(OC)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r| Show InChI InChI=1S/C34H35N3O5/c1-6-41-31-20-26(19-30(36-31)40-5)32(27-17-25-16-22(21-35)10-11-24(25)18-29(27)39-4)34(38,13-14-37(2)3)28-9-7-8-23-12-15-42-33(23)28/h7-12,15-20,32,38H,6,13-14H2,1-5H3/t32-,34-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192920 (CHEMBL3975000) Show SMILES COc1ccc(CCNc2nc3cc(C)ccc3c(=O)n2C)cc1 Show InChI InChI=1S/C19H21N3O2/c1-13-4-9-16-17(12-13)21-19(22(2)18(16)23)20-11-10-14-5-7-15(24-3)8-6-14/h4-9,12H,10-11H2,1-3H3,(H,20,21)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...				Bioorg Med Chem Lett 26: 5290-5299 (2016) Article DOI: 10.1016/j.bmcl.2016.09.043 BindingDB Entry DOI: 10.7270/Q2H70HS6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460300 (CHEMBL4225899) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2occc12 |r| Show InChI InChI=1S/C32H33BrN2O5/c1-35(2)15-13-32(36,26-7-6-8-27-23(26)12-16-40-27)29(24-11-14-34-31(39-5)30(24)38-4)25-18-21-17-22(33)10-9-20(21)19-28(25)37-3/h6-12,14,16-19,29,36H,13,15H2,1-5H3/t29-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50192916 (CHEMBL3941754) Show SMILES COc1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)nc1 Show InChI InChI=1S/C17H17ClN4O2/c1-22-16(23)14-6-3-11(18)9-15(14)21-17(22)19-8-7-12-4-5-13(24-2)10-20-12/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...				Bioorg Med Chem Lett 26: 5290-5299 (2016) Article DOI: 10.1016/j.bmcl.2016.09.043 BindingDB Entry DOI: 10.7270/Q2H70HS6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460291 (CHEMBL4227161) Show SMILES COc1cccc([C@H](c2cc3cc(ccc3cc2OC)C#N)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1OC |r| Show InChI InChI=1S/C35H38N2O4/c1-37(2)18-17-35(38,30-13-7-10-24-9-6-11-27(24)30)33(28-12-8-14-31(39-3)34(28)41-5)29-20-26-19-23(22-36)15-16-25(26)21-32(29)40-4/h7-8,10,12-16,19-21,33,38H,6,9,11,17-18H2,1-5H3/t33-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50193008 (CHEMBL3976702) Show SMILES COc1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)cc1 Show InChI InChI=1S/C18H18ClN3O2/c1-22-17(23)15-8-5-13(19)11-16(15)21-18(22)20-10-9-12-3-6-14(24-2)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,20,21)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as 1'-hydroxymidazolam metabolite formation using midazolam as substrate incubated for 10 min...				Bioorg Med Chem Lett 26: 5290-5299 (2016) Article DOI: 10.1016/j.bmcl.2016.09.043 BindingDB Entry DOI: 10.7270/Q2H70HS6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460289 (CHEMBL4225217) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccc2CCN(C)c2c1 |r| Show InChI InChI=1S/C32H35BrN2O2/c1-34(2)17-15-32(36,26-12-10-22-14-16-35(3)29(22)21-26)31(23-8-6-5-7-9-23)28-19-25-18-27(33)13-11-24(25)20-30(28)37-4/h5-13,18-21,31,36H,14-17H2,1-4H3/t31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460293 (CHEMBL4225886) Show SMILES COc1cc2ccc(cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2CCOc12)C#N |r| Show InChI InChI=1S/C33H35N3O5/c1-36(2)15-13-33(37,27-8-6-7-22-12-16-41-30(22)27)29(25-11-14-35-32(40-5)31(25)39-4)26-18-24-17-21(20-34)9-10-23(24)19-28(26)38-3/h6-11,14,17-19,29,37H,12-13,15-16H2,1-5H3/t29-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537194 (CHEMBL4528706) Show SMILES COc1cccc(C(c2cc3cc(Br)ccc3nc2OC)C(O)(CCN(C)C)c2cc(C)cnc2C)c1OC Show InChI InChI=1S/C31H36BrN3O4/c1-19-15-25(20(2)33-18-19)31(36,13-14-35(3)4)28(23-9-8-10-27(37-5)29(23)38-6)24-17-21-16-22(32)11-12-26(21)34-30(24)39-7/h8-12,15-18,28,36H,13-14H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460299 (CHEMBL4228122) Show SMILES COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2N(C)CCc12 |r| Show InChI InChI=1S/C32H35BrN2O2/c1-34(2)18-16-32(36,28-11-8-12-29-26(28)15-17-35(29)3)31(22-9-6-5-7-10-22)27-20-24-19-25(33)14-13-23(24)21-30(27)37-4/h5-14,19-21,31,36H,15-18H2,1-4H3/t31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50539082 (CHEMBL4638334) Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H39N5O4S2/c1-8-43-27-18-23(19-28(37-27)44-9-2)33(39,13-15-38(3)4)29(24-12-14-35-32(42-7)30(24)40-5)25-17-22-16-21(20-34)10-11-26(22)36-31(25)41-6/h10-12,14,16-19,29,39H,8-9,13,15H2,1-7H3/t29-,33-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115213 BindingDB Entry DOI: 10.7270/Q24X5CB3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537226 (CHEMBL4543900) Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H32N4O6/c1-35(2)12-11-31(36,21-15-26(37-3)34-27(16-21)38-4)28(22-7-6-8-25-29(22)41-18-40-25)23-14-20-13-19(17-32)9-10-24(20)33-30(23)39-5/h6-10,13-16,28,36H,11-12,18H2,1-5H3/t28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115213 BindingDB Entry DOI: 10.7270/Q24X5CB3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 8: 1019-1024 (2017) Article DOI: 10.1021/acsmedchemlett.7b00196 BindingDB Entry DOI: 10.7270/Q22F7R0G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50279196 (CHEMBL4162672) Show SMILES COc1nc2ccccc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12 Show InChI InChI=1S/C32H32N2O2/c1-34(2)21-20-32(35,28-18-11-16-23-12-7-9-17-26(23)28)30(24-13-5-4-6-14-24)27-22-25-15-8-10-19-29(25)33-31(27)36-3/h4-19,22,30,35H,20-21H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 8: 1019-1024 (2017) Article DOI: 10.1021/acsmedchemlett.7b00196 BindingDB Entry DOI: 10.7270/Q22F7R0G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50063995 (Bedaquiline | CHEBI:72292 | TMC207) Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537222 (CHEMBL4574425) Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccnc1OC)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C29H33BrN4O5/c1-34(2)13-11-29(35,19-16-24(36-3)33-25(17-19)37-4)26(21-8-7-12-31-27(21)38-5)22-15-18-14-20(30)9-10-23(18)32-28(22)39-6/h7-10,12,14-17,26,35H,11,13H2,1-6H3/t26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537181 (CHEMBL4522192) Show SMILES COc1cc(c(OC)cn1)C(O)(CCN(C)C)C(c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC Show InChI InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,22-16-26(39-5)33-17-25(22)38-4)27(20-8-7-9-24(37-3)28(20)32)21-15-18-14-19(31)10-11-23(18)34-29(21)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50279217 (CHEMBL4177019) Show SMILES COc1nc2ccc(CN)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12 Show InChI InChI=1S/C33H35N3O2/c1-36(2)19-18-33(37,29-15-9-13-24-10-7-8-14-27(24)29)31(25-11-5-4-6-12-25)28-21-26-20-23(22-34)16-17-30(26)35-32(28)38-3/h4-17,20-21,31,37H,18-19,22,34H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Effective concentration on alkaline phosphatase activity in human T47D breast carcinoma cell line.				ACS Med Chem Lett 8: 1019-1024 (2017) Article DOI: 10.1021/acsmedchemlett.7b00196 BindingDB Entry DOI: 10.7270/Q22F7R0G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50539065 (CHEMBL4646329) Show SMILES COc1cc(cc(n1)S(C)(=O)=O)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H33BrFN3O6S/c1-35(2)13-12-30(36,19-16-25(40-4)34-26(17-19)42(6,37)38)27(21-8-7-9-24(39-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)41-5/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115213 BindingDB Entry DOI: 10.7270/Q24X5CB3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50452143 (CHEMBL4218132) Show SMILES COc1cc(cnc1OC)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r| Show InChI InChI=1S/C29H31BrFN3O4/c1-34(2)12-11-29(35,20-7-6-8-22(31)16-20)26(19-15-25(36-3)28(38-5)32-17-19)23-14-18-13-21(30)9-10-24(18)33-27(23)37-4/h6-10,13-17,26,35H,11-12H2,1-5H3/t26-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 5190-5196 (2017) Article DOI: 10.1016/j.bmcl.2017.10.042 BindingDB Entry DOI: 10.7270/Q2X3511S
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50460296 (CHEMBL4227994) Show SMILES COc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r| Show InChI InChI=1S/C35H37N3O5/c1-22(2)43-32-20-27(19-31(37-32)41-6)33(28-17-26-16-23(21-36)10-11-25(26)18-30(28)40-5)35(39,13-14-38(3)4)29-9-7-8-24-12-15-42-34(24)29/h7-12,15-20,22,33,39H,13-14H2,1-6H3/t33-,35-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537215 (CHEMBL4593713) Show SMILES COc1cnc(OC)c(c1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r| Show InChI InChI=1S/C30H35BrN4O6/c1-35(2)11-10-30(36,19-14-25(38-4)34-26(15-19)39-5)27(23-16-21(37-3)17-32-28(23)40-6)22-13-18-12-20(31)8-9-24(18)33-29(22)41-7/h8-9,12-17,27,36H,10-11H2,1-7H3/t27-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50279222 (CHEMBL4176516) Show SMILES CO\N=C\c1ccc2nc(OC)c(cc2c1)[C@@H](c1ccccc1)[C@](O)(CCN(C)C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C34H35N3O3/c1-37(2)20-19-34(38,30-16-10-14-25-11-8-9-15-28(25)30)32(26-12-6-5-7-13-26)29-22-27-21-24(23-35-40-4)17-18-31(27)36-33(29)39-3/h5-18,21-23,32,38H,19-20H2,1-4H3/b35-23+/t32-,34+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 8: 1019-1024 (2017) Article DOI: 10.1021/acsmedchemlett.7b00196 BindingDB Entry DOI: 10.7270/Q22F7R0G
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537217 (CHEMBL4519972) Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C31H36BrN3O6/c1-35(2)14-13-31(36,20-17-26(38-4)34-27(18-20)39-5)28(22-9-8-10-25(37-3)29(22)40-6)23-16-19-15-21(32)11-12-24(19)33-30(23)41-7/h8-12,15-18,28,36H,13-14H2,1-7H3/t28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537241 (CHEMBL4570895) Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cc(OC(C)C)cnc1OC)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H39N5O6/c1-20(2)44-24-17-26(31(42-7)35-19-24)30(25-14-22-13-21(18-34)9-10-27(22)36-32(25)43-8)33(39,11-12-38(3)4)23-15-28(40-5)37-29(16-23)41-6/h9-10,13-17,19-20,30,39H,11-12H2,1-8H3/t30-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537231 (CHEMBL4578975) Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H35BrN4O6/c1-35(2)13-11-30(36,19-16-24(37-3)34-25(17-19)38-4)26(21-10-12-32-29(41-7)27(21)39-5)22-15-18-14-20(31)8-9-23(18)33-28(22)40-6/h8-10,12,14-17,26,36H,11,13H2,1-7H3/t26-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Auckland Cancer Society Research Centre Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 27: 1292-1307 (2019) Article DOI: 10.1016/j.bmc.2019.02.026 BindingDB Entry DOI: 10.7270/Q23J3HGP
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50537185 (CHEMBL4483435) Show SMILES COc1cc(c(OC)nc1OC)C(O)(CCN(C)C)C(c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC Show InChI InChI=1S/C31H37BrN4O7/c1-36(2)14-12-31(37,22-17-24(38-3)29(42-7)35-28(22)41-6)25(20-11-13-33-30(43-8)26(20)39-4)21-16-18-15-19(32)9-10-23(18)34-27(21)40-5/h9-11,13,15-17,25,37H,12,14H2,1-8H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp electrophysiology assay				Bioorg Med Chem 27: 1283-1291 (2019) Article DOI: 10.1016/j.bmc.2019.02.025 BindingDB Entry DOI: 10.7270/Q2GT5RQN
					More data for this Ligand-Target Pair

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