Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50044526   

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
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019902 (CHEMBL3287207) Show SMILES CC(N1c2sccc2S(=O)(=O)CC1=O)c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C15H11F4NO4S2/c1-8(9-2-3-10(16)11(6-9)24-15(17,18)19)20-13(21)7-26(22,23)12-4-5-25-14(12)20/h2-6,8H,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019905 (CHEMBL3287210 | US9533999, ii-4) Show SMILES CC(N1C(=O)CSc2cccnc12)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H13F3N2OS/c1-10(11-4-2-5-12(8-11)16(17,18)19)21-14(22)9-23-13-6-3-7-20-15(13)21/h2-8,10H,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019903 (CHEMBL3287208 | US9533999, i-40) Show SMILES Fc1ccc(CN2c3ccsc3S(=O)(=O)CC2=O)cc1OC(F)(F)F Show InChI InChI=1S/C14H9F4NO4S2/c15-9-2-1-8(5-11(9)23-14(16,17)18)6-19-10-3-4-24-13(10)25(21,22)7-12(19)20/h1-5H,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019900 (CHEMBL3287205 | US9533999, i-5) Show SMILES Fc1ccc(CN2C(=O)CS(=O)(=O)c3cccnc23)cc1OC(F)(F)F Show InChI InChI=1S/C15H10F4N2O4S/c16-10-4-3-9(6-11(10)25-15(17,18)19)7-21-13(22)8-26(23,24)12-2-1-5-20-14(12)21/h1-6H,7-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019904 (CHEMBL3287209 | US9533999, ii-1) Show SMILES FC(F)(F)Oc1cccc(CN2C(=O)CSc3cccnc23)c1 Show InChI InChI=1S/C15H11F3N2O2S/c16-15(17,18)22-11-4-1-3-10(7-11)8-20-13(21)9-23-12-5-2-6-19-14(12)20/h1-7H,8-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019907 (CHEMBL3287212) Show SMILES CC(N1c2scnc2SCC1=O)c1ccc(F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C14H10F4N2O2S2/c1-7(20-11(21)5-23-12-13(20)24-6-19-12)8-2-3-9(15)10(4-8)22-14(16,17)18/h2-4,6-7H,5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019906 (CHEMBL3287211 | US9533999, ii-11) Show SMILES OCc1ccc2SCC(=O)N(Cc3ccc(Cl)c(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C16H12ClF3N2O2S/c17-12-3-1-9(5-11(12)16(18,19)20)6-22-14(24)8-25-13-4-2-10(7-23)21-15(13)22/h1-5,23H,6-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4 (Homo sapiens (Human))	BDBM50019901 (CHEMBL3287206 | US9533999, i-34) Show SMILES CC(C)c1nc2N(Cc3ccc(F)c(OC(F)(F)F)c3)C(=O)CS(=O)(=O)c2s1 Show InChI InChI=1S/C16H14F4N2O4S2/c1-8(2)14-21-13-15(27-14)28(24,25)7-12(23)22(13)6-9-3-4-10(17)11(5-9)26-16(18,19)20/h3-5,8H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human KCa3.1 overexpressed in HEK293 cells assessed as thallium influx preincubated for 15 mins followed by thallium/ionomycin addition...				ACS Med Chem Lett 5: 460-1 (2014) Article DOI: 10.1021/ml500090s BindingDB Entry DOI: 10.7270/Q2RJ4M2T
					More data for this Ligand-Target Pair