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 = 'BDBM50367803'   

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))	BDBM50367803 (CHEMBL1202670) Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C28H38N2O3S/c1-5-7-14-30(15-8-6-2)16-9-17-33-24-12-10-22(11-13-24)27-21-34-28(29-27)23-18-25(31-3)20-26(19-23)32-4/h10-13,18-21H,5-9,14-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	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))	BDBM50367803 (CHEMBL1202670) Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1csc(n1)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C28H38N2O3S/c1-5-7-14-30(15-8-6-2)16-9-17-33-24-12-10-22(11-13-24)27-21-34-28(29-27)23-18-25(31-3)20-26(19-23)32-4/h10-13,18-21H,5-9,14-17H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	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