Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50043326   

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
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50439404 (CHEMBL2420539) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1C Show InChI InChI=1S/C17H19FN2O3S/c1-12-4-9-15(11-16(12)24(22,23)20(2)3)19-17(21)10-13-5-7-14(18)8-6-13/h4-9,11H,10H2,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM95731 (2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]...) Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-5-3-4-14(11-15)18-16(20)10-12-6-8-13(17)9-7-12/h3-9,11H,10H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50439405 (CHEMBL2420538) Show SMILES CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 Show InChI InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)14-8-5-7-13(11-14)18-16(20)10-12-6-3-4-9-15(12)17/h3-9,11H,10H2,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50115223 (1-(5-Methyl-2-phenyl-2H-pyrazol-3-yl)-3-phenyl-ure...) Show SMILES Cc1cc(NC(=O)Nc2ccccc2)n(n1)-c1ccccc1 Show InChI InChI=1S/C17H16N4O/c1-13-12-16(21(20-13)15-10-6-3-7-11-15)19-17(22)18-14-8-4-2-5-9-14/h2-12H,1H3,(H2,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50439403 (CHEMBL1558022) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C Show InChI InChI=1S/C17H19ClN2O3S/c1-12-8-9-14(11-16(12)24(22,23)20(2)3)19-17(21)10-13-6-4-5-7-15(13)18/h4-9,11H,10H2,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50437983 (CHEMBL2409106) Show SMILES Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C17H14F2N4O/c1-11-9-16(23(22-11)13-5-3-2-4-6-13)21-17(24)20-12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H2,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair
G protein-activated inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50439402 (CHEMBL2420537) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Cc2ccccc2Br)ccc1C Show InChI InChI=1S/C17H19BrN2O3S/c1-12-8-9-14(11-16(12)24(22,23)20(2)3)19-17(21)10-13-6-4-5-7-15(13)18/h4-9,11H,10H2,1-3H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Activation of GIRK1/2 (unknown origin) by cell-based thallium flux assay				Bioorg Med Chem Lett 23: 5195-8 (2013) Article DOI: 10.1016/j.bmcl.2013.07.002 BindingDB Entry DOI: 10.7270/Q28K7BG1
					More data for this Ligand-Target Pair