Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50047934   

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))	BDBM50197683 (CHEMBL3907479 | US10689705, Compound 49) Show SMILES Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccccc3[nH]2)c1N Show InChI InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50197692 (CHEMBL3895337) Show SMILES Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3ccc(C)cc3[nH]2)c1N Show InChI InChI=1S/C21H18N6O/c1-11-3-4-13-8-19(26-17(13)7-11)20(28)15-10-23-27(21(15)22)14-5-6-16-18(9-14)25-12(2)24-16/h3-10,26H,22H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM130903 (US10689705, Compound 7 | US8829199, 196) Show SMILES Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(CN4CCC(F)(F)CC4)cc3[nH]2)c1N Show InChI InChI=1S/C26H25F2N7O/c1-15-31-20-5-4-18(12-22(20)32-15)35-25(29)19(13-30-35)24(36)23-11-17-3-2-16(10-21(17)33-23)14-34-8-6-26(27,28)7-9-34/h2-5,10-13,33H,6-9,14,29H2,1H3,(H,31,32)	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50197712 (CHEMBL3676329 | US10689705, Compound 44) Show SMILES Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(Br)cc3[nH]2)c1N Show InChI InChI=1S/C20H15BrN6O/c1-10-24-15-5-4-13(8-17(15)25-10)27-20(22)14(9-23-27)19(28)18-6-11-2-3-12(21)7-16(11)26-18/h2-9,26H,22H2,1H3,(H,24,25)	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
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM130906 (US10689705, Compound 46 | US8829199, 200) Show SMILES Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(cc3[nH]2)S(C)(=O)=O)c1N Show InChI InChI=1S/C21H18N6O3S/c1-11-24-16-6-4-13(8-18(16)25-11)27-21(22)15(10-23-27)20(28)19-7-12-3-5-14(31(2,29)30)9-17(12)26-19/h3-10,26H,22H2,1-2H3,(H,24,25)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50197687 (CHEMBL3681244 | US10689705, Compound 34) Show SMILES Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(cc3[nH]2)-c2ccccc2)c1N Show InChI InChI=1S/C26H20N6O/c1-15-29-21-10-9-19(13-23(21)30-15)32-26(27)20(14-28-32)25(33)24-12-18-8-7-17(11-22(18)31-24)16-5-3-2-4-6-16/h2-14,31H,27H2,1H3,(H,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50197685 (CHEMBL3681278 | US10689705, Compound 1) Show SMILES Cc1nc2cc(ccc2[nH]1)-n1ncc(C(=O)c2cc3ccc(CN4CCOCC4)cc3[nH]2)c1N Show InChI InChI=1S/C25H25N7O2/c1-15-28-20-5-4-18(12-22(20)29-15)32-25(26)19(13-27-32)24(33)23-11-17-3-2-16(10-21(17)30-23)14-31-6-8-34-9-7-31/h2-5,10-13,30H,6-9,14,26H2,1H3,(H,28,29)	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
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50197691 (CHEMBL3891894) Show SMILES Cc1nc2ccc(cc2[nH]1)-n1ncc(C(=O)c2cc3cc(CN4CCOCC4)ccc3[nH]2)c1N Show InChI InChI=1S/C25H25N7O2/c1-15-28-21-5-3-18(12-22(21)29-15)32-25(26)19(13-27-32)24(33)23-11-17-10-16(2-4-20(17)30-23)14-31-6-8-34-9-7-31/h2-5,10-13,30H,6-9,14,26H2,1H3,(H,28,29)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells assessed as reduction in channel currents at -80 mV holding potential by automated whole-cell patch cl...				J Med Chem 59: 10586-10600 (2016) Article DOI: 10.1021/acs.jmedchem.6b01156 BindingDB Entry DOI: 10.7270/Q2ZS2ZGV
					More data for this Ligand-Target Pair