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Patent code US9162983

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM185738
PNG
(US9162983, D)
Show SMILES O\N=C/C(=O)c1ccc(OCC2CCN(Cc3ccccc3)CC2)nc1
Show InChI InChI=1S/C20H23N3O3/c24-19(13-22-25)18-6-7-20(21-12-18)26-15-17-8-10-23(11-9-17)14-16-4-2-1-3-5-16/h1-7,12-13,17,25H,8-11,14-15H2/b22-13-
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US Patent
31n/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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50009662
PNG
(CHEMBL3235219 | US9162983, C)
Show SMILES O\N=C\C(=O)c1cccnc1OCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O3/c24-19(13-22-25)18-7-4-10-21-20(18)26-15-17-8-11-23(12-9-17)14-16-5-2-1-3-6-16/h1-7,10,13,17,25H,8-9,11-12,14-15H2/b22-13+
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US Patent
180n/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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM185737
PNG
(US9162983, B)
Show SMILES COc1ccc(CN2CCCCC2COc2ccc(cn2)C(=O)\C=N/O)cc1OC
Show InChI InChI=1S/C22H27N3O5/c1-28-20-8-6-16(11-21(20)29-2)14-25-10-4-3-5-18(25)15-30-22-9-7-17(12-23-22)19(26)13-24-27/h6-9,11-13,18,27H,3-5,10,14-15H2,1-2H3/b24-13-
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US Patent
233n/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
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+
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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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50009651
PNG
(CHEMBL3235208 | US9162983, E)
Show SMILES CC(=O)C(=N/O)\C(=O)NCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H23N3O3/c1-13(21)16(19-23)17(22)18-11-14-7-9-20(10-8-14)12-15-5-3-2-4-6-15/h2-6,14,23H,7-12H2,1H3,(H,18,22)/b19-16+
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US Patent
2.30E+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
* indicates data uncertainty>20%