Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50047639   

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 channel subfamily K member 2 (Homo sapiens (Human))	BDBM50334150 (1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...) Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents				J Med Chem 59: 5149-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 2 (Homo sapiens (Human))	BDBM79172 (2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...) Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents				J Med Chem 59: 5149-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 2 (Homo sapiens (Human))	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents				J Med Chem 59: 5149-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 2 (Homo sapiens (Human))	BDBM78433 (2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...) Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents				J Med Chem 59: 5149-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 2 (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents				J Med Chem 59: 5149-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair
Potassium channel subfamily K member 2 (Homo sapiens (Human))	BDBM22871 (13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8| Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents				J Med Chem 59: 5149-57 (2016) Article DOI: 10.1021/acs.jmedchem.5b00671 BindingDB Entry DOI: 10.7270/Q2319XSS
					More data for this Ligand-Target Pair