BDBM50067697 7-chloro-N-(3-(3-(7-chloroquinolin-4-ylamino)propylamino)propyl)quinolin-4-amine::CHEMBL42527::N-(7-Chloro-quinolin-4-yl)-N'-[3-(7-chloro-quinolin-4-ylamino)-propyl]-propane-1,3-diamine::N1-(7-chloroquinolin-4-yl)-N3-(3-(7-chloroquinolin-4-ylamino)propyl)propane-1,3-diamine
SMILES: Clc1ccc2c(NCCCNCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
InChI Key: InChIKey=HROACHSLAKGFBN-UHFFFAOYSA-N
Data: 2 IC50
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) | BDBM50067697 (7-chloro-N-(3-(3-(7-chloroquinolin-4-ylamino)propy...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute at Frederick Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assay | Bioorg Med Chem Lett 19: 5811-3 (2009) Article DOI: 10.1016/j.bmcl.2009.01.111 BindingDB Entry DOI: 10.7270/Q2988720 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM50067697 (7-chloro-N-(3-(3-(7-chloroquinolin-4-ylamino)propy...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Belgrade Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum BoNT/A light chain | J Med Chem 56: 5860-71 (2014) Article DOI: 10.1021/jm4006077 BindingDB Entry DOI: 10.7270/Q2QF8V8K | |||||||||||
More data for this Ligand-Target Pair |