Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium-transporting ATPase alpha chain 1/subunit beta' and Ligand = 'BDBM50367798'   

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 (Homo sapiens (Human))	BDBM50367798 (CHEMBL1202679) Show SMILES CCCCN(CCCC)CCCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1 Show InChI InChI=1S/C27H36N2O2/c1-3-5-19-29(20-6-4-2)21-9-10-22-30-24-16-13-23(14-17-24)15-18-27-28-25-11-7-8-12-26(25)31-27/h7-8,11-18H,3-6,9-10,19-22H2,1-2H3/b18-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Ortho Pharmaceutical Corporation Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 31: 1778-85 (1988) BindingDB Entry DOI: 10.7270/Q20P10MZ
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367798 (CHEMBL1202679) Show SMILES CCCCN(CCCC)CCCCOc1ccc(\C=C\c2nc3ccccc3o2)cc1 Show InChI InChI=1S/C27H36N2O2/c1-3-5-19-29(20-6-4-2)21-9-10-22-30-24-16-13-23(14-17-24)15-18-27-28-25-11-7-8-12-26(25)31-27/h7-8,11-18H,3-6,9-10,19-22H2,1-2H3/b18-15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ortho Pharmaceutical Corporation Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5...				J Med Chem 31: 1778-85 (1988) BindingDB Entry DOI: 10.7270/Q20P10MZ
					More data for this Ligand-Target Pair