BDBM50001254 1-(8-Methoxy-4-o-tolylamino-quinolin-3-yl)-butan-1-one::CHEMBL327717::SK&F-96067::SK-96067

SMILES: CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C

InChI Key: InChIKey=MAVJDLHBPIXVJL-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001254   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Potassium-transporting ATPase (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 PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.0	n/a
SmithKline Beecham Pharmaceuticals R&D Curated by ChEMBL					Assay Description Inhibition of K+ -stimulated gastric ATPase activity was measured using lyophilized gastric vesicles at pH 7				J Med Chem 38: 2748-62 (1995) BindingDB Entry DOI: 10.7270/Q2ZK5FPD
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Compound was tested in vitro for H+/K+ ATPase activity in rabbit stomach preparations				Bioorg Med Chem Lett 9: 2819-22 (1999) BindingDB Entry DOI: 10.7270/Q2T72GM3
					More data for this Ligand-Target Pair
Potassium-transporting ATPase (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 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