Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50012671   

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))	BDBM50559303 (CHEMBL4741855) Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.9,wD:1.0,5.5,3.10,(30.93,-25.95,;32.26,-26.73,;32.26,-28.27,;33.59,-29.05,;34.92,-28.29,;34.94,-26.75,;36.27,-25.99,;33.6,-25.96,;32.82,-24.63,;34.37,-24.62,;33.57,-30.59,;32.24,-31.35,;32.23,-32.89,;33.56,-33.67,;34.9,-32.91,;34.9,-31.37,;36.25,-30.61,;37.58,-31.38,;37.56,-32.92,;38.91,-30.62,;40.24,-31.4,;41.58,-30.63,;41.59,-29.09,;42.93,-28.33,;40.26,-28.32,;38.92,-29.08,;40.27,-26.78,;38.94,-26,;37.6,-26.76,;38.95,-24.46,;40.29,-23.7,;41.62,-24.47,;41.61,-26.01,;42.93,-26.79,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01279 BindingDB Entry DOI: 10.7270/Q24X5CHB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM106917 (US8592455, 117) Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:7.8,wD:3.9,1.0,5.5,(-6,2.69,;-4.67,1.93,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-3.33,2.69,;-3.33,4.23,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.39,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)| Show InChI InChI=1S/C24H22F3N3O3/c1-12-9-13(10-20(31)23(12)32)14-7-8-28-11-19(14)30-24(33)18-6-5-17(27)22(29-18)21-15(25)3-2-4-16(21)26/h2-8,11-13,20,23,31-32H,9-10H2,1H3,(H,30,33)/t12-,13+,20+,23+/m0/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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01279 BindingDB Entry DOI: 10.7270/Q24X5CHB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50559298 (CHEMBL4742957) Show SMILES CC[C@@]1(O)[C@@H](C)C[C@H](C[C@H]1O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01279 BindingDB Entry DOI: 10.7270/Q24X5CHB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50559299 (CHEMBL4781112) Show SMILES C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ccc1N)-c1ncccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01279 BindingDB Entry DOI: 10.7270/Q24X5CHB
					More data for this Ligand-Target Pair