BDBM50367801 CHEMBL1202667

SMILES: CCN(CC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1

InChI Key: InChIKey=PIRAWXDTIQBRGW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50367801   

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 alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367801 (CHEMBL1202667) Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C22H26N2OS/c1-3-24(4-2)15-8-16-25-20-13-11-18(12-14-20)21-17-26-22(23-21)19-9-6-5-7-10-19/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	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
Potassium-transporting ATPase alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50367801 (CHEMBL1202667) Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C22H26N2OS/c1-3-24(4-2)15-8-16-25-20-13-11-18(12-14-20)21-17-26-22(23-21)19-9-6-5-7-10-19/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	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