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Compile Data Set for Download or QSAR

Found 12 hits of ki data for polymerid = 1043,1044   
Target
(Institution)
LigandTarget
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 and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10440
PNG
((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
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19.6 -10.4 52n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10440
PNG
((5S)-5-[(12-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquin...)
Show SMILES O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12
Show InChI InChI=1S/C30H46N4O2/c35-29-19-17-23-25(13-11-15-27(23)33-29)31-21-9-7-5-3-1-2-4-6-8-10-22-32-26-14-12-16-28-24(26)18-20-30(36)34-28/h17-20,25-26,31-32H,1-16,21-22H2,(H,33,35)(H,34,36)/t25-,26-/m0/s1
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20n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of rat AChE


J Med Chem 51: 3154-70 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50342601
PNG
(CHEMBL1255901 | Huperzine A)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2
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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24n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM


Bioorg Med Chem Lett 11: 2627-30 (2001)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM10441
PNG
((+)-Huperzine A | (+/-)Huperzine A | (-)-Huperzine...)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2
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+
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47.1 -9.89 114n/an/an/an/a7.022



Weizmann Institute of Science



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ...


J Am Chem Soc 125: 363-73 (2003)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50429847
PNG
(CHEMBL2338670)
Show SMILES Oc1cccc2C(=O)c3cc(C[n+]4ccccc4)cc(O)c3C(=O)c12
Show InChI InChI=1S/C20H13NO4/c22-15-6-4-5-13-17(15)20(25)18-14(19(13)24)9-12(10-16(18)23)11-21-7-2-1-3-8-21/h1-10H,11H2,(H-,22,23,25)/p+1
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279n/an/an/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate by double Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 1064-73 (2013)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50104605
PNG
(13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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2.75E+3n/an/an/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE by Michaelis-Menten equation


Bioorg Med Chem Lett 24: 4749-53 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50026058
PNG
(CHEMBL3335259)
Show SMILES COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1CN1CCCCC1
Show InChI InChI=1S/C23H27NO4/c1-27-20-15-21(28-2)22(19(25)12-11-17-9-5-3-6-10-17)23(26)18(20)16-24-13-7-4-8-14-24/h3,5-6,9-12,15,26H,4,7-8,13-14,16H2,1-2H3/b12-11+
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4.58E+3n/an/an/an/an/an/an/an/a



Hunan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain AChE using acetylthiocholin iodide as substrate by Michaelis-Menten equation


Bioorg Med Chem Lett 24: 4749-53 (2014)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 377-86 (2003)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50104603
PNG
(13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....)
Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2
Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-
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1.23E+4n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50028409
PNG
(CHEMBL285508 | Trimethyl-[3-(2-oxo-2lambda*5*-[1,3...)
Show SMILES C[N+](C)(C)c1cccc(OP2(=O)OCCCO2)c1
Show InChI InChI=1S/C12H19NO4P/c1-13(2,3)11-6-4-7-12(10-11)17-18(14)15-8-5-9-16-18/h4,6-7,10H,5,8-9H2,1-3H3/q+1
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3.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant of the compound against rat brain acetylcholinesterase at pH 7.0


J Med Chem 26: 145-52 (1983)

More data for this
Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)


(Rattus norvegicus (rat))
BDBM50104604
PNG
(11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...)
Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O
Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£t Wien

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain


Bioorg Med Chem Lett 11: 2627-30 (2001)

More data for this
Ligand-Target Pair