BDBM50367813 CHEMBL1202661

SMILES: CCCN(CCC)CCCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1

InChI Key: InChIKey=YVDVRBKOJZYTRR-DTQAZKPQSA-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 = 50367813   

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))	BDBM50367813 (CHEMBL1202661) Show SMILES CCCN(CCC)CCCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H32N2OS/c1-3-17-27(18-4-2)19-7-8-20-28-22-14-11-21(12-15-22)13-16-25-26-23-9-5-6-10-24(23)29-25/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3/b16-13+	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 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))	BDBM50367813 (CHEMBL1202661) Show SMILES CCCN(CCC)CCCCOc1ccc(\C=C\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C25H32N2OS/c1-3-17-27(18-4-2)19-7-8-20-28-22-14-11-21(12-15-22)13-16-25-26-23-9-5-6-10-24(23)29-25/h5-6,9-16H,3-4,7-8,17-20H2,1-2H3/b16-13+	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	30	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