BDBM50404287 CHEMBL8116

SMILES: OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N

InChI Key: InChIKey=AIOBKFWGMYSVSJ-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 = 50404287   

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)	BDBM50404287 (CHEMBL8116) Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |w:11.12| Show InChI InChI=1S/C26H20Cl3N5O/c27-19-5-8-21(9-6-19)32-26(25(35)18-3-1-17(14-30)2-4-18)33-24(15-34-12-11-31-16-34)22-10-7-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair
Mitochondrial complex V; ATP synthase (Bos taurus)	BDBM50404287 (CHEMBL8116) Show SMILES OC(C(Nc1ccc(Cl)cc1)=NC(Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |w:11.12| Show InChI InChI=1S/C26H20Cl3N5O/c27-19-5-8-21(9-6-19)32-26(25(35)18-3-1-17(14-30)2-4-18)33-24(15-34-12-11-31-16-34)22-10-7-20(28)13-23(22)29/h1-13,16,24-25,35H,15H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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: 1027-30 (2004) Article DOI: 10.1016/j.bmcl.2003.11.077 BindingDB Entry DOI: 10.7270/Q2VX0HQ9
					More data for this Ligand-Target Pair