BindingDB PrimarySearch

BDBM50054095 1-{4-[4-(4-amino-1-quinoliniumylmethyl)phenethyl]benzyl}-4-quinoliniumamine::1.1'-[ethylenebis(benzene-1,4-diylmethylene)]bis(4-aminoquinolinium)::CHEMBL362961::CHEMBL429017

SMILES: [NH2+]=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccccc45)cc3)cc2)c2ccccc12

InChI Key: InChIKey=SSYLZSFCNUGCEN-UHFFFAOYSA-P

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50054095
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Choline kinase alpha (Homo sapiens (Human))	BDBM50054095 (1-{4-[4-(4-amino-1-quinoliniumylmethyl)phenethyl]b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Ex vivo inhibitory concentration against human choline kinase				J Med Chem 48: 3354-63 (2005) Article DOI: 10.1021/jm049061o BindingDB Entry DOI: 10.7270/Q2WD403P
Universidad de Granada Curated by ChEMBL					More data for this Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 2 (KCa2.2) (Rattus norvegicus (Rat))	BDBM50054095 (1-{4-[4-(4-amino-1-quinoliniumylmethyl)phenethyl]b...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration of compound required for SKCa blocking action was assessed from its ability to inhibit After hyperpolarisation (AHP) in cult...				Bioorg Med Chem Lett 7: 7-10 (1997) Article DOI: 10.1016/S0960-894X(96)00568-9 BindingDB Entry DOI: 10.7270/Q22B8Z1R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Small conductance calcium-activated potassium channel (Rattus norvegicus-RAT-Rattus norvegicus (Rat))	BDBM50054095 (1-{4-[4-(4-amino-1-quinoliniumylmethyl)phenethyl]b...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed by the compounds ability to inhibit the after-hyperpolarization in c...				J Med Chem 43: 420-31 (2000) Article DOI: 10.1021/jm9902537 BindingDB Entry DOI: 10.7270/Q21V5HQ2
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50054095 (1-{4-[4-(4-amino-1-quinoliniumylmethyl)phenethyl]b...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of equine BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assay				J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT
Universidad de Granada Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50054095 (1-{4-[4-(4-amino-1-quinoliniumylmethyl)phenethyl]b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Granada Curated by ChEMBL					Assay Description Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay				J Med Chem 54: 2627-45 (2011) Article DOI: 10.1021/jm101299d BindingDB Entry DOI: 10.7270/Q2SQ90QT
Universidad de Granada Curated by ChEMBL					More data for this Ligand-Target Pair