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Compile Data Set for Download or QSAR

Found 17 hits from CSIR Central Drug Research Institute   
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


(Mus musculus (mouse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 130n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394337
PNG
(CHEMBL2159426)
Show SMILES Cc1cccc(NC(=O)Oc2ccc3N(Cc4ccc(Cl)cc4Cl)CCCc3c2)c1
Show InChI InChI=1S/C24H22Cl2N2O2/c1-16-4-2-6-20(12-16)27-24(29)30-21-9-10-23-17(13-21)5-3-11-28(23)15-18-7-8-19(25)14-22(18)26/h2,4,6-10,12-14H,3,5,11,15H2,1H3,(H,27,29)
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n/an/a 700n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 1.11E+3n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394330
PNG
(CHEMBL2159421)
Show SMILES Fc1ccccc1NC(=O)Oc1ccc2N(Cc3ccc(Cl)cc3Cl)CCCc2c1
Show InChI InChI=1S/C23H19Cl2FN2O2/c24-17-8-7-16(19(25)13-17)14-28-11-3-4-15-12-18(9-10-22(15)28)30-23(29)27-21-6-2-1-5-20(21)26/h1-2,5-10,12-13H,3-4,11,14H2,(H,27,29)
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n/an/a 2.56E+3n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394338
PNG
(CHEMBL2159425)
Show SMILES Cc1ccccc1NC(=O)Oc1ccc2N(Cc3ccc(Cl)cc3Cl)CCCc2c1
Show InChI InChI=1S/C24H22Cl2N2O2/c1-16-5-2-3-7-22(16)27-24(29)30-20-10-11-23-17(13-20)6-4-12-28(23)15-18-8-9-19(25)14-21(18)26/h2-3,5,7-11,13-14H,4,6,12,15H2,1H3,(H,27,29)
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n/an/a 2.57E+3n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394335
PNG
(CHEMBL2159428)
Show SMILES Clc1ccc(CN2CCCc3cc(OC(=O)Nc4ccccc4Cl)ccc23)c(Cl)c1
Show InChI InChI=1S/C23H19Cl3N2O2/c24-17-8-7-16(20(26)13-17)14-28-11-3-4-15-12-18(9-10-22(15)28)30-23(29)27-21-6-2-1-5-19(21)25/h1-2,5-10,12-13H,3-4,11,14H2,(H,27,29)
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n/an/a 1.19E+4n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394331
PNG
(CHEMBL2159420)
Show SMILES COc1ccccc1NC(=O)Oc1ccc2N(Cc3ccc(Cl)cc3Cl)CCCc2c1
Show InChI InChI=1S/C24H22Cl2N2O3/c1-30-23-7-3-2-6-21(23)27-24(29)31-19-10-11-22-16(13-19)5-4-12-28(22)15-17-8-9-18(25)14-20(17)26/h2-3,6-11,13-14H,4-5,12,15H2,1H3,(H,27,29)
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n/an/a 1.38E+4n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394328
PNG
(CHEMBL2159423)
Show SMILES CCCCCCNC(=O)Oc1ccc2N(Cc3ccc(Cl)cc3Cl)CCCc2c1
Show InChI InChI=1S/C23H28Cl2N2O2/c1-2-3-4-5-12-26-23(28)29-20-10-11-22-17(14-20)7-6-13-27(22)16-18-8-9-19(24)15-21(18)25/h8-11,14-15H,2-7,12-13,16H2,1H3,(H,26,28)
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n/an/a 1.41E+4n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394325
PNG
(CHEMBL2159415)
Show SMILES Cc1ccccc1NC(=O)Oc1ccc2N(Cc3ccccc3)CCCc2c1
Show InChI InChI=1S/C24H24N2O2/c1-18-8-5-6-12-22(18)25-24(27)28-21-13-14-23-20(16-21)11-7-15-26(23)17-19-9-3-2-4-10-19/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3,(H,25,27)
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n/an/a 1.43E+4n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394324
PNG
(CHEMBL2159416)
Show SMILES Cc1cccc(NC(=O)Oc2ccc3N(Cc4ccccc4)CCCc3c2)c1
Show InChI InChI=1S/C24H24N2O2/c1-18-7-5-11-21(15-18)25-24(27)28-22-12-13-23-20(16-22)10-6-14-26(23)17-19-8-3-2-4-9-19/h2-5,7-9,11-13,15-16H,6,10,14,17H2,1H3,(H,25,27)
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n/an/a 6.02E+4n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394329
PNG
(CHEMBL2159422)
Show SMILES Fc1ccc(NC(=O)Oc2ccc3N(Cc4ccc(Cl)cc4Cl)CCCc3c2)cc1
Show InChI InChI=1S/C23H19Cl2FN2O2/c24-17-4-3-16(21(25)13-17)14-28-11-1-2-15-12-20(9-10-22(15)28)30-23(29)27-19-7-5-18(26)6-8-19/h3-10,12-13H,1-2,11,14H2,(H,27,29)
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n/an/a 8.94E+4n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394327
PNG
(CHEMBL2159424)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(Cc3ccc(Cl)cc3Cl)CCCc2c1
Show InChI InChI=1S/C24H30Cl2N2O2/c1-2-3-4-5-6-13-27-24(29)30-21-11-12-23-18(15-21)8-7-14-28(23)17-19-9-10-20(25)16-22(19)26/h9-12,15-16H,2-8,13-14,17H2,1H3,(H,27,29)
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n/an/a 1.05E+5n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394332
PNG
(CHEMBL2159419)
Show SMILES Clc1ccc(CN2CCCc3cc(OC(=O)Nc4cccc(Br)c4)ccc23)c(Cl)c1
Show InChI InChI=1S/C23H19BrCl2N2O2/c24-17-4-1-5-19(12-17)27-23(29)30-20-8-9-22-15(11-20)3-2-10-28(22)14-16-6-7-18(25)13-21(16)26/h1,4-9,11-13H,2-3,10,14H2,(H,27,29)
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n/an/a 1.40E+5n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394334
PNG
(CHEMBL2159417)
Show SMILES Clc1ccc(CN2CCCc3cc(OC(=O)Nc4cccc(Cl)c4)ccc23)c(Cl)c1
Show InChI InChI=1S/C23H19Cl3N2O2/c24-17-4-1-5-19(12-17)27-23(29)30-20-8-9-22-15(11-20)3-2-10-28(22)14-16-6-7-18(25)13-21(16)26/h1,4-9,11-13H,2-3,10,14H2,(H,27,29)
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n/an/a 2.11E+5n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394336
PNG
(CHEMBL2159427)
Show SMILES Cc1ccc(NC(=O)Oc2ccc3N(Cc4ccc(Cl)cc4Cl)CCCc3c2)cc1
Show InChI InChI=1S/C24H22Cl2N2O2/c1-16-4-8-20(9-5-16)27-24(29)30-21-10-11-23-17(13-21)3-2-12-28(23)15-18-6-7-19(25)14-22(18)26/h4-11,13-14H,2-3,12,15H2,1H3,(H,27,29)
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n/an/a 8.51E+5n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394333
PNG
(CHEMBL2159418)
Show SMILES Clc1ccc(NC(=O)Oc2ccc3N(Cc4ccc(Cl)cc4Cl)CCCc3c2)cc1
Show InChI InChI=1S/C23H19Cl3N2O2/c24-17-5-7-19(8-6-17)27-23(29)30-20-9-10-22-15(12-20)2-1-11-28(22)14-16-3-4-18(25)13-21(16)26/h3-10,12-13H,1-2,11,14H2,(H,27,29)
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n/an/a 3.48E+6n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50394326
PNG
(CHEMBL2159414)
Show SMILES CCCCCCCCNC(=O)Oc1ccc2N(Cc3ccc(Cl)cc3Cl)CCCc2c1
Show InChI InChI=1S/C25H32Cl2N2O2/c1-2-3-4-5-6-7-14-28-25(30)31-22-12-13-24-19(16-22)9-8-15-29(24)18-20-10-11-21(26)17-23(20)27/h10-13,16-17H,2-9,14-15,18H2,1H3,(H,28,30)
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n/an/a>1.00E+7n/an/an/an/an/an/a



CSIR Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method


Bioorg Med Chem 20: 6313-20 (2012)


Article DOI: 10.1016/j.bmc.2012.09.005
BindingDB Entry DOI: 10.7270/Q2HT2QFT
More data for this
Ligand-Target Pair