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BDBM185736 US9162983, A

SMILES: CN(CCc1ccccc1)C1CCc2ncc(NC(=O)C(=N\O)\C(C)=O)cc2C1

InChI Key: InChIKey=GDDSCQZLLDQZIP-NJNXFGOHSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 185736   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM185736
PNG
(US9162983, A)
Show SMILES CN(CCc1ccccc1)C1CCc2ncc(NC(=O)C(=N\O)\C(C)=O)cc2C1
Show InChI InChI=1S/C22H26N4O3/c1-15(27)21(25-29)22(28)24-18-12-17-13-19(8-9-20(17)23-14-18)26(2)11-10-16-6-4-3-5-7-16/h3-7,12,14,19,29H,8-11,13H2,1-2H3,(H,24,28)/b25-21+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
1.11E+3n/an/an/an/an/an/an/an/a



SOUTHWEST RESEARCH INSTITUTE

US Patent


Assay Description
Accordingly Ki is for uninhibited AChE. The higher the number, the less the native enzyme is inhibited by the reactivator compound, which is what one...


US Patent US9162983 (2015)


BindingDB Entry DOI: 10.7270/Q2057DQC
More data for this
Ligand-Target Pair