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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 10526   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM10526
PNG
(N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl...)
Show SMILES C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3S/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)32-25)31-19-9-10-20-34-30-23-13-3-7-17-27(23)33-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
40 -42.2n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10526
PNG
(N-[4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl...)
Show SMILES C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H33N3S/c1-5-15-25-21(11-1)29(22-12-2-6-16-26(22)32-25)31-19-9-10-20-34-30-23-13-3-7-17-27(23)33-28-18-8-4-14-24(28)30/h1,3,5,7,11,13,15,17H,2,4,6,8-10,12,14,16,18-20H2,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
650 -35.3n/an/an/an/an/a8.025



Universita degli Studi di Siena



Assay Description
Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...


Bioorg Med Chem Lett 11: 1779-82 (2001)


Article DOI: 10.1021/jm8006917
BindingDB Entry DOI: 10.7270/Q2DZ06JN
More data for this
Ligand-Target Pair