BDBM50367792 CHEMBL1202629

SMILES: C(CCN1CCCC1)COc1ccc(\C=C\c2nc3ccccc3s2)cc1

InChI Key: InChIKey=WVCWQWVTIGZJDB-SDNWHVSQSA-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 = 50367792   

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/beta chain (Homo sapiens (Human))	BDBM50367792 (CHEMBL1202629) Show SMILES C(CCN1CCCC1)COc1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C23H26N2OS/c1-2-8-22-21(7-1)24-23(27-22)14-11-19-9-12-20(13-10-19)26-18-6-5-17-25-15-3-4-16-25/h1-2,7-14H,3-6,15-18H2/b14-11+	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	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 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/beta chain (Homo sapiens (Human))	BDBM50367792 (CHEMBL1202629) Show SMILES C(CCN1CCCC1)COc1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C23H26N2OS/c1-2-8-22-21(7-1)24-23(27-22)14-11-19-9-12-20(13-10-19)26-18-6-5-17-25-15-3-4-16-25/h1-2,7-14H,3-6,15-18H2/b14-11+	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	160	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