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Compile Data Set for Download or QSAR

Found 5 hits of koff data for polymerid = 1043,1045,1064,236,3619,50006985   
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


(Bos taurus (bovine))
BDBM50093799
PNG
((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C |t:4,TLB:11:10:2:4.7.5,THB:15:16:2:4.7.5|
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
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n/an/an/an/an/a 0.000217n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for inhibition of fetal bovine serum acetylcholinesterase


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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n/an/an/an/an/a 0.000333n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1
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n/an/an/an/an/a 0.000367 0.0155n/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..


Bioorg Med Chem Lett 6: 259-262 (1996)


Article DOI: 10.1016/0960-894X(96)00012-1
BindingDB Entry DOI: 10.7270/Q2R49R8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50138279
PNG
(CHEMBL3752467)
Show SMILES C(CCCNCc1cc2ccccc2o1)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H35N3O/c1(2-10-18-30-21-23-20-22-12-4-9-17-28(22)33-23)3-11-19-31-29-24-13-5-7-15-26(24)32-27-16-8-6-14-25(27)29/h4-5,7,9,12-13,15,17,20,30H,1-3,6,8,10-11,14,16,18-19,21H2,(H,31,32)
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n/an/an/an/an/a 0.0310n/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Torpedo californica AChE using ATCh as substrate assessed as dissociation rate constant preincubated for 90 mins followe...


J Med Chem 59: 114-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01119
BindingDB Entry DOI: 10.7270/Q2S75J5X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM50138279
PNG
(CHEMBL3752467)
Show SMILES C(CCCNCc1cc2ccccc2o1)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C29H35N3O/c1(2-10-18-30-21-23-20-22-12-4-9-17-28(22)33-23)3-11-19-31-29-24-13-5-7-15-26(24)32-27-16-8-6-14-25(27)29/h4-5,7,9,12-13,15,17,20,30H,1-3,6,8,10-11,14,16,18-19,21H2,(H,31,32)
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n/an/an/an/an/a 0.0320n/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of Torpedo californica AChE using ATCh as substrate assessed as dissociation rate constant preincubated for 90 mins followed b...


J Med Chem 59: 114-31 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01119
BindingDB Entry DOI: 10.7270/Q2S75J5X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)