Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50032739   

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))	BDBM50333952 (CHEMBL1644470 | exo-(1R,5S)-3-(6-phenylpyridin-2-y...) Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human ERG by dofetilide binding assay				Bioorg Med Chem Lett 21: 271-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.021 BindingDB Entry DOI: 10.7270/Q2CZ37D3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333972 (CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...) Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human ERG by dofetilide binding assay				Bioorg Med Chem Lett 21: 271-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.021 BindingDB Entry DOI: 10.7270/Q2CZ37D3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333954 (CHEMBL1644611 | exo-3-((1R,5S)-8-azabicyclo[3.2.1]...) Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccn1 |r| Show InChI InChI=1S/C19H19N3O/c20-12-13-7-14(19-3-1-2-6-21-19)9-17(8-13)23-18-10-15-4-5-16(11-18)22-15/h1-3,6-9,15-16,18,22H,4-5,10-11H2/t15-,16+,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human ERG by dofetilide binding assay				Bioorg Med Chem Lett 21: 271-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.021 BindingDB Entry DOI: 10.7270/Q2CZ37D3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333953 (2-(3-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-...) Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ncccc1C#N |r| Show InChI InChI=1S/C20H18N4O/c21-11-13-6-15(20-14(12-22)2-1-5-23-20)8-18(7-13)25-19-9-16-3-4-17(10-19)24-16/h1-2,5-8,16-17,19,24H,3-4,9-10H2/t16-,17+,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human ERG by dofetilide binding assay				Bioorg Med Chem Lett 21: 271-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.021 BindingDB Entry DOI: 10.7270/Q2CZ37D3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333976 (CHEMBL1644609 | exo-2-(6-((1R,5S)-8-azabicyclo[3.2...) Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1 |r| Show InChI InChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Inhibition of human ERG by dofetilide binding assay				Bioorg Med Chem Lett 21: 271-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.021 BindingDB Entry DOI: 10.7270/Q2CZ37D3
					More data for this Ligand-Target Pair