BDBM50404316 CHEMBL8247

SMILES: O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N

InChI Key: InChIKey=XSKKRKKUTSKCGE-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 = 50404316   

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)	BDBM50404316 (CHEMBL8247) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(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
Mitochondrial complex V; ATP synthase (Bos taurus)	BDBM50404316 (CHEMBL8247) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1ccc(cc1)C#N Show InChI InChI=1S/C28H27N5O2S/c29-16-23-11-14-27(15-12-23)36(34,35)32-18-24-8-4-5-9-28(24)33(19-25-17-30-21-31-25)26(20-32)13-10-22-6-2-1-3-7-22/h1-9,11-12,14-15,17,21,26H,10,13,18-20H2,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	255	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