BDBM50404313 CHEMBL269778

SMILES: O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccccc1

InChI Key: InChIKey=GMWYRWYOPACUFK-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 = 50404313   

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)	BDBM50404313 (CHEMBL269778) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccccc1 Show InChI InChI=1S/C27H28N4O2S/c32-34(33,26-12-5-2-6-13-26)30-18-23-11-7-8-14-27(23)31(19-24-17-28-21-29-24)25(20-30)16-15-22-9-3-1-4-10-22/h1-14,17,21,25H,15-16,18-20H2,(H,28,29)	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)	BDBM50404313 (CHEMBL269778) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccccc1 Show InChI InChI=1S/C27H28N4O2S/c32-34(33,26-12-5-2-6-13-26)30-18-23-11-7-8-14-27(23)31(19-24-17-28-21-29-24)25(20-30)16-15-22-9-3-1-4-10-22/h1-14,17,21,25H,15-16,18-20H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	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