BDBM50404309 CHEMBL269156

SMILES: O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2nonc12

InChI Key: InChIKey=VGARCTAIYARSNF-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 = 50404309   

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)	BDBM50404309 (CHEMBL269156) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2nonc12 Show InChI InChI=1S/C27H26N6O3S/c34-37(35,26-12-6-10-24-27(26)31-36-30-24)32-16-21-9-4-5-11-25(21)33(17-22-15-28-19-29-22)23(18-32)14-13-20-7-2-1-3-8-20/h1-12,15,19,23H,13-14,16-18H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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)	BDBM50404309 (CHEMBL269156) Show SMILES O=S(=O)(N1CC(CCc2ccccc2)N(Cc2cnc[nH]2)c2ccccc2C1)c1cccc2nonc12 Show InChI InChI=1S/C27H26N6O3S/c34-37(35,26-12-6-10-24-27(26)31-36-30-24)32-16-21-9-4-5-11-25(21)33(17-22-15-28-19-29-22)23(18-32)14-13-20-7-2-1-3-8-20/h1-12,15,19,23H,13-14,16-18H2,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+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