BDBM50404303 CHEMBL269541

SMILES: O=S(=O)(Cc1ccccc1)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1

InChI Key: InChIKey=KVWMHJWVMWYMFJ-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 = 50404303   

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)	BDBM50404303 (CHEMBL269541) Show SMILES O=S(=O)(Cc1ccccc1)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C28H30N4O2S/c33-35(34,21-24-11-5-2-6-12-24)31-18-25-13-7-8-14-28(25)32(19-26-17-29-22-30-26)27(20-31)16-15-23-9-3-1-4-10-23/h1-14,17,22,27H,15-16,18-21H2,(H,29,30)	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)	BDBM50404303 (CHEMBL269541) Show SMILES O=S(=O)(Cc1ccccc1)N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1 Show InChI InChI=1S/C28H30N4O2S/c33-35(34,21-24-11-5-2-6-12-24)31-18-25-13-7-8-14-28(25)32(19-26-17-29-22-30-26)27(20-31)16-15-23-9-3-1-4-10-23/h1-14,17,22,27H,15-16,18-21H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+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 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