Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50036040   

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-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001224 ((8-Methoxy-quinolin-4-yl)-o-tolyl-amine | CHEMBL11...) Show SMILES COc1cccc2c(Nc3ccccc3C)ccnc12 Show InChI InChI=1S/C17H16N2O/c1-12-6-3-4-8-14(12)19-15-10-11-18-17-13(15)7-5-9-16(17)20-2/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001235 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-propan-...) Show SMILES CCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H20N2O2/c1-4-17(23)15-12-21-20-14(9-7-11-18(20)24-3)19(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001259 (4-o-Tolylamino-quinoline-3-carboxylic acid ethyl e...) Show SMILES CCOC(=O)c1cnc2ccccc2c1Nc1ccccc1C Show InChI InChI=1S/C19H18N2O2/c1-3-23-19(22)15-12-20-17-11-7-5-9-14(17)18(15)21-16-10-6-4-8-13(16)2/h4-12H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001247 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(23)15-12-21-19-14(9-7-11-17(19)24-3)18(15)22-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of gastric H+/K+ ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001240 (1-(4-o-Tolylamino-quinolin-3-yl)-butan-1-one | CHE...) Show SMILES CCCC(=O)c1cnc2ccccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H20N2O/c1-3-8-19(23)16-13-21-18-12-7-5-10-15(18)20(16)22-17-11-6-4-9-14(17)2/h4-7,9-13H,3,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001254 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-butan-1...) Show SMILES CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C21H22N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001232 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-2-methy...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C(C)C Show InChI InChI=1S/C21H22N2O2/c1-13(2)21(24)16-12-22-20-15(9-7-11-18(20)25-4)19(16)23-17-10-6-5-8-14(17)3/h5-13H,1-4H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001239 (CHEMBL116272 | Cyclobutyl-(8-methoxy-4-o-tolylamin...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCC1 Show InChI InChI=1S/C22H22N2O2/c1-14-7-3-4-11-18(14)24-20-16-10-6-12-19(26-2)21(16)23-13-17(20)22(25)15-8-5-9-15/h3-4,6-7,10-13,15H,5,8-9H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001257 (CHEMBL545745 | Quinolin-4-yl-o-tolyl-amine; hydroc...) Show SMILES Cc1ccccc1Nc1ccnc2ccccc12 Show InChI InChI=1S/C16H14N2/c1-12-6-2-4-8-14(12)18-16-10-11-17-15-9-5-3-7-13(15)16/h2-11H,1H3,(H,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001258 (CHEMBL326168 | Cyclopentyl-(8-methoxy-4-o-tolylami...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCCC1 Show InChI InChI=1S/C23H24N2O2/c1-15-8-3-6-12-19(15)25-21-17-11-7-13-20(27-2)22(17)24-14-18(21)23(26)16-9-4-5-10-16/h3,6-8,11-14,16H,4-5,9-10H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001237 (2-Ethyl-1-(8-methoxy-4-o-tolylamino-quinolin-3-yl)...) Show SMILES CCC(CC)C(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C23H26N2O2/c1-5-16(6-2)23(26)18-14-24-22-17(11-9-13-20(22)27-4)21(18)25-19-12-8-7-10-15(19)3/h7-14,16H,5-6H2,1-4H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001243 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-2,2-dim...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C(C)(C)C Show InChI InChI=1S/C22H24N2O2/c1-14-9-6-7-11-17(14)24-19-15-10-8-12-18(26-5)20(15)23-13-16(19)21(25)22(2,3)4/h6-13H,1-5H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001230 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-hexan-1...) Show SMILES CCCCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C23H26N2O2/c1-4-5-6-13-20(26)18-15-24-23-17(11-9-14-21(23)27-3)22(18)25-19-12-8-7-10-16(19)2/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001227 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES CCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H21N3O2/c1-4-21-20(24)15-12-22-19-14(9-7-11-17(19)25-3)18(15)23-16-10-6-5-8-13(16)2/h5-12H,4H2,1-3H3,(H,21,24)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001253 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)NCC=C Show InChI InChI=1S/C21H21N3O2/c1-4-12-22-21(25)16-13-23-20-15(9-7-11-18(20)26-3)19(16)24-17-10-6-5-8-14(17)2/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001234 (8-Methoxy-4-phenylamino-quinoline-3-carboxylic aci...) Show SMILES CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1 Show InChI InChI=1S/C19H18N2O3/c1-3-24-19(22)15-12-20-18-14(10-7-11-16(18)23-2)17(15)21-13-8-5-4-6-9-13/h4-12H,3H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001255 (CHEMBL115240 | Cyclohexyl-(8-methoxy-4-o-tolylamin...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H26N2O2/c1-16-9-6-7-13-20(16)26-22-18-12-8-14-21(28-2)23(18)25-15-19(22)24(27)17-10-4-3-5-11-17/h6-9,12-15,17H,3-5,10-11H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001231 (1-(8-Methoxy-4-phenylamino-quinolin-3-yl)-butan-1-...) Show SMILES CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1 Show InChI InChI=1S/C20H20N2O2/c1-3-8-17(23)16-13-21-20-15(11-7-12-18(20)24-2)19(16)22-14-9-5-4-6-10-14/h4-7,9-13H,3,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001236 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-ethanon...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(C)=O Show InChI InChI=1S/C19H18N2O2/c1-12-7-4-5-9-16(12)21-18-14-8-6-10-17(23-3)19(14)20-11-15(18)13(2)22/h4-11H,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001226 ((3-Propylsulfanyl-quinolin-4-yl)-o-tolyl-amine | C...) Show SMILES CCCSc1cnc2ccccc2c1Nc1ccccc1C Show InChI InChI=1S/C19H20N2S/c1-3-12-22-18-13-20-17-11-7-5-9-15(17)19(18)21-16-10-6-4-8-14(16)2/h4-11,13H,3,12H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001244 ((8-Methoxy-3-methyl-quinolin-4-yl)-o-tolyl-amine |...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(C)cnc12 Show InChI InChI=1S/C18H18N2O/c1-12-7-4-5-9-15(12)20-17-13(2)11-19-18-14(17)8-6-10-16(18)21-3/h4-11H,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001242 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES CNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C19H19N3O2/c1-12-7-4-5-9-15(12)22-17-13-8-6-10-16(24-3)18(13)21-11-14(17)19(23)20-2/h4-11H,1-3H3,(H,20,23)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of gastric H+/K+ ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001225 ((8-Methoxy-3-propyl-quinolin-4-yl)-o-tolyl-amine(0...) Show SMILES CCCc1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H22N2O/c1-4-8-15-13-21-20-16(10-7-12-18(20)23-3)19(15)22-17-11-6-5-9-14(17)2/h5-7,9-13H,4,8H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001249 ((8-Methoxy-4-o-tolylamino-quinolin-3-yl)-methanol ...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(CO)cnc12 Show InChI InChI=1S/C18H18N2O2/c1-12-6-3-4-8-15(12)20-17-13(11-21)10-19-18-14(17)7-5-9-16(18)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of gastric H+/K+ ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001246 (CHEMBL543879 | [3-(1-Methyl-1H-tetrazol-5-yl)-quin...) Show SMILES Cc1ccccc1Nc1c(cnc2ccccc12)-c1nnnn1C Show InChI InChI=1S/C18H16N6/c1-12-7-3-5-9-15(12)20-17-13-8-4-6-10-16(13)19-11-14(17)18-21-22-23-24(18)2/h3-11H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50406683 (CHEMBL2111758) Show SMILES COCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H20N2O3/c1-13-7-4-5-9-16(13)22-19-14-8-6-10-18(25-3)20(14)21-11-15(19)17(23)12-24-2/h4-11H,12H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001238 ((3-Bromo-quinolin-4-yl)-o-tolyl-amine | CHEMBL1152...) Show SMILES Cc1ccccc1Nc1c(Br)cnc2ccccc12 Show InChI InChI=1S/C16H13BrN2/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17/h2-10H,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001229 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(N)=O Show InChI InChI=1S/C18H17N3O2/c1-11-6-3-4-8-14(11)21-16-12-7-5-9-15(23-2)17(12)20-10-13(16)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of gastric H+/K+ ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001233 ((8-Methoxy-4-o-tolylamino-quinolin-3-yl)-phenyl-me...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)c1ccccc1 Show InChI InChI=1S/C24H20N2O2/c1-16-9-6-7-13-20(16)26-22-18-12-8-14-21(28-2)23(18)25-15-19(22)24(27)17-10-4-3-5-11-17/h3-15H,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001223 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-ethanon...) Show SMILES CO\N=C(/C)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C20H21N3O2/c1-13-8-5-6-10-17(13)22-19-15-9-7-11-18(24-3)20(15)21-12-16(19)14(2)23-25-4/h5-12H,1-4H3,(H,21,22)/b23-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001256 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES CCCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C21H23N3O2/c1-4-12-22-21(25)16-13-23-20-15(9-7-11-18(20)26-3)19(16)24-17-10-6-5-8-14(17)2/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001250 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-ethanol...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(C)O Show InChI InChI=1S/C19H20N2O2/c1-12-7-4-5-9-16(12)21-18-14-8-6-10-17(23-3)19(14)20-11-15(18)13(2)22/h4-11,13,22H,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50368384 (CHEMBL1203150) Show SMILES Cc1ccccc1Nc1c(N)cnc2ccccc12 Show InChI InChI=1S/C16H15N3/c1-11-6-2-4-8-14(11)19-16-12-7-3-5-9-15(12)18-10-13(16)17/h2-10H,17H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001241 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)OCCN(C)C Show InChI InChI=1S/C22H25N3O3/c1-15-8-5-6-10-18(15)24-20-16-9-7-11-19(27-4)21(16)23-14-17(20)22(26)28-13-12-25(2)3/h5-11,14H,12-13H2,1-4H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001245 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES COc1cccc2c(Nc3ccccc3C)c(cnc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C25H23N3O2/c1-17-9-6-7-13-21(17)28-23-19-12-8-14-22(30-2)24(19)26-16-20(23)25(29)27-15-18-10-4-3-5-11-18/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001251 (1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-butan-1...) Show SMILES CCCC(O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C21H24N2O2/c1-4-8-18(24)16-13-22-21-15(10-7-12-19(21)25-3)20(16)23-17-11-6-5-9-14(17)2/h5-7,9-13,18,24H,4,8H2,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001228 (8-Methoxy-4-o-tolylamino-quinoline-3-carboxylic ac...) Show SMILES CCCCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C Show InChI InChI=1S/C22H25N3O2/c1-4-5-13-23-22(26)17-14-24-21-16(10-8-12-19(21)27-3)20(17)25-18-11-7-6-9-15(18)2/h6-12,14H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Sus scrofa (Pig))	BDBM50001248 (8-Methoxy-4-(methyl-phenyl-amino)-quinoline-3-carb...) Show SMILES CCOC(=O)c1cnc2c(OC)cccc2c1N(C)c1ccccc1 Show InChI InChI=1S/C20H20N2O3/c1-4-25-20(23)16-13-21-18-15(11-8-12-17(18)24-3)19(16)22(2)14-9-6-5-7-10-14/h5-13H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 35: 3413-22 (1992) BindingDB Entry DOI: 10.7270/Q2CN74J2
					More data for this Ligand-Target Pair