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BDBM50029036 1-Amino-4-{4-[4-hydroxy-6-(4-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid

SMILES: Nc1c(cc(Nc2ccc(Nc3nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(=O)[nH]3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O

InChI Key: InChIKey=UITSQIUNFNIVPY-UHFFFAOYSA-K

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029036   
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
Choline acetylase


(Homo sapiens (Human))
BDBM50029036
PNG
(1-Amino-4-{4-[4-hydroxy-6-(4-sulfo-phenylamino)-[1...)
Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Nc4ccc(cc4)S([O-])(=O)=O)nc(=O)[nH]3)c(c2)S([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C29H21N7O12S3/c30-24-21(51(46,47)48)12-19(22-23(24)26(38)17-4-2-1-3-16(17)25(22)37)31-14-7-10-18(20(11-14)50(43,44)45)33-28-34-27(35-29(39)36-28)32-13-5-8-15(9-6-13)49(40,41)42/h1-12,31H,30H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,32,33,34,35,36,39)/p-3
PDB
MMDB

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Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


J Med Chem 24: 1534-7 (1982)


Article DOI: 10.1021/jm00144a035
BindingDB Entry DOI: 10.7270/Q2T43TMK
More data for this
Ligand-Target Pair