BDBM23299 4-amino-7-chloroquinoline (ACQ)-based compound, 4::N-{3-[bis({3-[(7-chloroquinolin-4-yl)amino]propyl})amino]propyl}-7-chloroquinolin-4-amine

SMILES: Clc1ccc2c(NCCCN(CCCNc3ccnc4cc(Cl)ccc34)CCCNc3ccnc4cc(Cl)ccc34)ccnc2c1

InChI Key: InChIKey=NEDFTNYEDKYQCR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 23299   

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
Botulinum Neurotoxin Type A (Clostridium botulinum)	BDBM23299 (4-amino-7-chloroquinoline (ACQ)-based compound, 4 ...) Show SMILES Clc1ccc2c(NCCCN(CCCNc3ccnc4cc(Cl)ccc34)CCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 Show InChI InChI=1S/C36H36Cl3N7/c37-25-4-7-28-31(10-16-43-34(28)22-25)40-13-1-19-46(20-2-14-41-32-11-17-44-35-23-26(38)5-8-29(32)35)21-3-15-42-33-12-18-45-36-24-27(39)6-9-30(33)36/h4-12,16-18,22-24H,1-3,13-15,19-21H2,(H,40,43)(H,41,44)(H,42,45)	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.3	22
National Cancer Institute at Frederick					Assay Description Botox A catalyzed the hydrolysis of substrate peptide between residues 11 (glutamine) and 12 (arginine), corresponding to residues 197 and 198 of SNA...				J Med Chem 50: 2127-36 (2007) Article DOI: 10.1021/jm061446e BindingDB Entry DOI: 10.7270/Q2VQ3105
					More data for this Ligand-Target Pair