BDBM50404318 CHEMBL412904

SMILES: Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=OOQMUYRDXKMWLS-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 = 50404318   

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)	BDBM50404318 (CHEMBL412904) Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-27(31-20-30-21)19-33-25(14-11-22-7-3-2-4-8-22)18-32(17-23-9-5-6-10-28(23)33)36(34,35)26-15-12-24(29)13-16-26/h2-10,12-13,15-16,20,25H,11,14,17-19H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	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)	BDBM50404318 (CHEMBL412904) Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2S/c1-21-27(31-20-30-21)19-33-25(14-11-22-7-3-2-4-8-22)18-32(17-23-9-5-6-10-28(23)33)36(34,35)26-15-12-24(29)13-16-26/h2-10,12-13,15-16,20,25H,11,14,17-19H2,1H3,(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 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