BindingDB logo
myBDB logout

null

SMILES: CSc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O

InChI Key: InChIKey=ZITMAELHMXIWSP-FGZHOGPDSA-N

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 = 413594   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vesicular acetylcholine transporter


(Homo sapiens (Human))		BDBM413594
PNG
(US10421722, Compound 3)
Show SMILES CSc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
Show InChI InChI=1S/C23H27NO2S/c1-27-20-8-6-16(7-9-20)23(26)17-10-12-24(13-11-17)21-14-18-4-2-3-5-19(18)15-22(21)25/h2-9,17,21-22,25H,10-15H2,1H3/t21-,22-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.40n/an/an/an/an/an/an/an/a



Washington University

US Patent


Assay Description
The binding affinity of a compound to VAChT was measured by competition against the binding of 5 nM [3H]Vesamicol to postnuclear supernatant prepared...

US Patent US10421722 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41W3
More data for this
Ligand-Target Pair