BDBM50404310 CHEMBL8240

SMILES: Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccc(cc2)C(C)(C)C)Cc2ccccc12

InChI Key: InChIKey=WVMMDJDPEOYFFD-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 = 50404310   

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)	BDBM50404310 (CHEMBL8240) Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccc(cc2)C(C)(C)C)Cc2ccccc12 Show InChI InChI=1S/C33H40N4/c1-25-31(35-24-34-25)23-37-30(19-16-26-10-6-5-7-11-26)22-36(21-28-12-8-9-13-32(28)37)20-27-14-17-29(18-15-27)33(2,3)4/h5-15,17-18,24,30H,16,19-23H2,1-4H3,(H,34,35)	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)	BDBM50404310 (CHEMBL8240) Show SMILES Cc1nc[nH]c1CN1C(CCc2ccccc2)CN(Cc2ccc(cc2)C(C)(C)C)Cc2ccccc12 Show InChI InChI=1S/C33H40N4/c1-25-31(35-24-34-25)23-37-30(19-16-26-10-6-5-7-11-26)22-36(21-28-12-8-9-13-32(28)37)20-27-14-17-29(18-15-27)33(2,3)4/h5-15,17-18,24,30H,16,19-23H2,1-4H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+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