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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 10684   
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
Cholinesterases


(Homo sapiens (Human))
BDBM10684
PNG
((-)-(3aS)-1,8-Dibenzyl-3a-methyl-1,2,3,3a,8,8a-hex...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C27H29N3O2/c1-27-15-16-29(18-20-9-5-3-6-10-20)25(27)30(19-21-11-7-4-8-12-21)24-14-13-22(17-23(24)27)32-26(31)28-2/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,28,31)/t25?,27-/m0/s1
PDB
MMDB

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KEGG

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



University of North Carolina at Chapel Hill



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10684
PNG
((-)-(3aS)-1,8-Dibenzyl-3a-methyl-1,2,3,3a,8,8a-hex...)
Show SMILES CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C27H29N3O2/c1-27-15-16-29(18-20-9-5-3-6-10-20)25(27)30(19-21-11-7-4-8-12-21)24-14-13-22(17-23(24)27)32-26(31)28-2/h3-14,17,25H,15-16,18-19H2,1-2H3,(H,28,31)/t25?,27-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/a8.037



University of North Carolina at Chapel Hill



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 41: 2371-9 (1998)


Article DOI: 10.1021/jm9800494
BindingDB Entry DOI: 10.7270/Q2W0944J
More data for this
Ligand-Target Pair