BDBM50404315 CHEMBL266958

SMILES: O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccs1

InChI Key: InChIKey=DUQYLOPGLOOVAP-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 = 50404315   

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
Mitochondrial complex V; ATP synthase (Bos taurus)	BDBM50404315 (CHEMBL266958) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccs1 Show InChI InChI=1S/C25H26N4O2S2/c30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20/h1-11,14-15,19,23H,12-13,16-18H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP hydrolase				Bioorg Med Chem Lett 14: 1031-4 (2004) Article DOI: 10.1016/j.bmcl.2003.11.052 BindingDB Entry DOI: 10.7270/Q2D50MCF
					More data for this Ligand-Target Pair
Mitochondrial complex V; ATP synthase (Bos taurus)	BDBM50404315 (CHEMBL266958) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccs1 Show InChI InChI=1S/C25H26N4O2S2/c30-33(31,25-11-6-14-32-25)28-16-21-9-4-5-10-24(21)29(17-22-15-26-19-27-22)23(18-28)13-12-20-7-2-1-3-8-20/h1-11,14-15,19,23H,12-13,16-18H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against bovine mitochondrial F1F0-ATP synthase				Bioorg Med Chem Lett 14: 1031-4 (2004) Article DOI: 10.1016/j.bmcl.2003.11.052 BindingDB Entry DOI: 10.7270/Q2D50MCF
					More data for this Ligand-Target Pair