BDBM50404308 CHEMBL266555

SMILES: Cc1ncc(CN2C(CCc3ccccc3)CN(Cc3ccccc23)S(=O)(=O)c2ccc(F)cc2)[nH]1

InChI Key: InChIKey=QIBQNJKMUJGWIQ-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 = 50404308   

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)	BDBM50404308 (CHEMBL266555) Show SMILES Cc1ncc(CN2C(CCc3ccccc3)CN(Cc3ccccc23)S(=O)(=O)c2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-30-17-25(31-21)19-33-26(14-11-22-7-3-2-4-8-22)20-32(18-23-9-5-6-10-28(23)33)36(34,35)27-15-12-24(29)13-16-27/h2-10,12-13,15-17,26H,11,14,18-20H2,1H3,(H,30,31)	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 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
Mitochondrial complex V; ATP synthase (Bos taurus)	BDBM50404308 (CHEMBL266555) Show SMILES Cc1ncc(CN2C(CCc3ccccc3)CN(Cc3ccccc23)S(=O)(=O)c2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-30-17-25(31-21)19-33-26(14-11-22-7-3-2-4-8-22)20-32(18-23-9-5-6-10-28(23)33)36(34,35)27-15-12-24(29)13-16-27/h2-10,12-13,15-17,26H,11,14,18-20H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.62E+3	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