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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'sahin' and Initial = 'y'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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US Patent
n/an/a 8n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362881
PNG
(CHEMBL1940907)
Show SMILES CC1COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(cc(C(O)=O)c3=O)C11CCC1
Show InChI InChI=1S/C24H26FN5O4/c1-13-12-34-22-19(29-10-9-28-15-5-2-3-8-27-15)17(25)18(26)16-20(22)30(24(13)6-4-7-24)11-14(21(16)31)23(32)33/h2-3,5,8,11,13,29H,4,6-7,9-10,12,26H2,1H3,(H,27,28)(H,32,33)
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n/an/a 10n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50325983
PNG
(6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)
Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
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n/an/a 30n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50325983
PNG
(6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...)
Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
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n/an/a 30n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362879
PNG
(CHEMBL1940905)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C23H24FN5O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)33-11-7-23(5-3-6-23)29(19)12-13(20(15)30)22(31)32/h1-2,4,8,12,28H,3,5-7,9-11,25H2,(H,26,27)(H,31,32)
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n/an/a 36n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362880
PNG
(CHEMBL1940906)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-3-1-2-7-25-13)32-10-6-22(4-5-22)28(18)11-12(19(14)29)21(30)31/h1-3,7,11,27H,4-6,8-10,24H2,(H,25,26)(H,30,31)
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n/an/a 37n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362882
PNG
(CHEMBL1940908)
Show SMILES CC1CC2(CCC2)n2cc(C(O)=O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(O1)c23
Show InChI InChI=1S/C24H26FN5O4/c1-13-11-24(6-4-7-24)30-12-14(23(32)33)21(31)16-18(26)17(25)19(22(34-13)20(16)30)29-10-9-28-15-5-2-3-8-27-15/h2-3,5,8,12-13,29H,4,6-7,9-11,26H2,1H3,(H,27,28)(H,32,33)
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n/an/a 250n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362878
PNG
(CHEMBL1940904)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C24H26FN5O4/c25-17-18(26)16-20-22(19(17)29-11-10-28-15-5-1-4-9-27-15)34-12-8-24(6-2-3-7-24)30(20)13-14(21(16)31)23(32)33/h1,4-5,9,13,29H,2-3,6-8,10-12,26H2,(H,27,28)(H,32,33)
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n/an/a 250n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50362883
PNG
(CHEMBL1940909)
Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2NCCC3(CCC3)n3cc(C(O)=O)c(=O)c1c23
Show InChI InChI=1S/C23H25FN6O3/c24-16-17(25)15-20-19(18(16)29-11-10-27-14-4-1-2-8-26-14)28-9-7-23(5-3-6-23)30(20)12-13(21(15)31)22(32)33/h1-2,4,8,12,28-29H,3,5-7,9-11,25H2,(H,26,27)(H,32,33)
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n/an/a 550n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay


Bioorg Med Chem 20: 1188-200 (2012)


Article DOI: 10.1016/j.bmc.2011.12.046
BindingDB Entry DOI: 10.7270/Q29W0FXV
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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US Patent
n/an/a 700n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cholinesterases


(Homo sapiens (Human))
BDBM50024874
PNG
(CHEMBL3335066)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C27H28N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18,20H2
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n/an/a 800n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024881
PNG
(CHEMBL3335060)
Show SMILES O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C26H26N2O3/c29-26-24-9-5-4-8-22(24)23-11-10-21(18-25(23)31-26)30-17-16-27-12-14-28(15-13-27)19-20-6-2-1-3-7-20/h1-11,18H,12-17,19H2
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n/an/a 900n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024893
PNG
(CHEMBL3335048)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C27H32N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-3,7-8,11-12,19H,4-6,9-10,13-18,20H2
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n/an/a 900n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024891
PNG
(CHEMBL3335050)
Show SMILES CN(CCCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H29NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-21-11-5-6-12-23(21)25(27)29-24(22)17-20/h2-4,9-10,13-14,17H,5-8,11-12,15-16,18H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024872
PNG
(CHEMBL3335068)
Show SMILES CN(CCCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C25H25NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-21-11-5-6-12-23(21)25(27)29-24(22)17-20/h2-6,9-14,17H,7-8,15-16,18H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024900
PNG
(CHEMBL3335029)
Show SMILES O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C26H30N2O3/c29-26-24-9-5-4-8-22(24)23-11-10-21(18-25(23)31-26)30-17-16-27-12-14-28(15-13-27)19-20-6-2-1-3-7-20/h1-3,6-7,10-11,18H,4-5,8-9,12-17,19H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024890
PNG
(CHEMBL3335051)
Show SMILES COc1cccc(CN(C)CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C26H31NO4/c1-27(18-19-8-7-9-20(16-19)29-2)14-5-6-15-30-21-12-13-23-22-10-3-4-11-24(22)26(28)31-25(23)17-21/h7-9,12-13,16-17H,3-6,10-11,14-15,18H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024898
PNG
(CHEMBL3335031)
Show SMILES CN(CCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C24H27NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024897
PNG
(CHEMBL3335032)
Show SMILES COc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C25H29NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h5,7-8,11-12,15-16H,3-4,6,9-10,13-14,17H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM294221
PNG
(()-3-(1-(dimethylamino)ethyl)-1-methoxy-6H-benzo[...)
Show SMILES COc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
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n/an/a 2.80E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024953
PNG
(CHEMBL3335025)
Show SMILES CN(CCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-4,7-8,11-12,15H,5-6,9-10,13-14,16H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024862
PNG
(CHEMBL3335019)
Show SMILES Cl.COc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1/C18H19NO3.ClH/c1-11(19(2)3)12-9-15(21-4)17-13-7-5-6-8-14(13)18(20)22-16(17)10-12;/h5-11H,1-4H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024893
PNG
(CHEMBL3335048)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C27H32N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-3,7-8,11-12,19H,4-6,9-10,13-18,20H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024874
PNG
(CHEMBL3335066)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C27H28N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18,20H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024876
PNG
(CHEMBL3335064)
Show SMILES O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C28H29NO3/c30-28-26-10-5-4-9-24(26)25-12-11-23(20-27(25)32-28)31-18-6-15-29-16-13-22(14-17-29)19-21-7-2-1-3-8-21/h1-5,7-12,20,22H,6,13-19H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM294223
PNG
(()-3-(1-(dimethylamino)ethyl)-1-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
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n/an/a 4.20E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024957
PNG
(CHEMBL3335021)
Show SMILES Cl.CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1/C17H17NO3.ClH/c1-10(18(2)3)11-8-14(19)16-12-6-4-5-7-13(12)17(20)21-15(16)9-11;/h4-10,19H,1-3H3;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024896
PNG
(CHEMBL3335046)
Show SMILES O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H33NO3/c30-28-26-10-5-4-9-24(26)25-12-11-23(20-27(25)32-28)31-18-6-15-29-16-13-22(14-17-29)19-21-7-2-1-3-8-21/h1-3,7-8,11-12,20,22H,4-6,9-10,13-19H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024895
PNG
(CHEMBL3335047)
Show SMILES COc1cccc(CC2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C29H35NO4/c1-32-23-7-4-6-22(19-23)18-21-12-15-30(16-13-21)14-5-17-33-24-10-11-26-25-8-2-3-9-27(25)29(31)34-28(26)20-24/h4,6-7,10-11,19-21H,2-3,5,8-9,12-18H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024933
PNG
(CHEMBL3335026)
Show SMILES COc1cccc(CN(C)CCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C24H27NO4/c1-25(16-17-6-5-7-18(14-17)27-2)12-13-28-19-10-11-21-20-8-3-4-9-22(20)24(26)29-23(21)15-19/h5-7,10-11,14-15H,3-4,8-9,12-13,16H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024892
PNG
(CHEMBL3335049)
Show SMILES COc1cccc(CN2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C28H34N2O4/c1-32-22-7-4-6-21(18-22)20-30-15-13-29(14-16-30)12-5-17-33-23-10-11-25-24-8-2-3-9-26(24)28(31)34-27(25)19-23/h4,6-7,10-11,18-19H,2-3,5,8-9,12-17,20H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024887
PNG
(CHEMBL3335054)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H34N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-3,8-9,12-13,20H,4-7,10-11,14-19,21H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024872
PNG
(CHEMBL3335068)
Show SMILES CN(CCCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C25H25NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-21-11-5-6-12-23(21)25(27)29-24(22)17-20/h2-6,9-14,17H,7-8,15-16,18H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024885
PNG
(CHEMBL3335056)
Show SMILES CN(CCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C23H21NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-12,15H,13-14,16H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024899
PNG
(CHEMBL3335030)
Show SMILES COc1cccc(CN2CCN(CCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C27H32N2O4/c1-31-21-6-4-5-20(17-21)19-29-13-11-28(12-14-29)15-16-32-22-9-10-24-23-7-2-3-8-25(23)27(30)33-26(24)18-22/h4-6,9-10,17-18H,2-3,7-8,11-16,19H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024864
PNG
(CHEMBL3335018)
Show SMILES Cl.C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21 |r|
Show InChI InChI=1/C17H17NO2.ClH/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12;/h4-11H,1-3H3;1H/t11-;/s2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM294220
PNG
((S)-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21 |r|
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US Patent
n/an/a 7.90E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024924
PNG
(CHEMBL3335027)
Show SMILES O=c1oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C27H31NO3/c29-27-25-9-5-4-8-23(25)24-11-10-22(19-26(24)31-27)30-17-16-28-14-12-21(13-15-28)18-20-6-2-1-3-7-20/h1-3,6-7,10-11,19,21H,4-5,8-9,12-18H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024868
PNG
(CHEMBL3335071)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C28H30N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-5,8-13,20H,6-7,14-19,21H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024871
PNG
(CHEMBL3335069)
Show SMILES COc1cccc(CN(C)CCCCOc2ccc3c(c2)oc(=O)c2ccccc32)c1
Show InChI InChI=1S/C26H27NO4/c1-27(18-19-8-7-9-20(16-19)29-2)14-5-6-15-30-21-12-13-23-22-10-3-4-11-24(22)26(28)31-25(23)17-21/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024879
PNG
(CHEMBL3335062)
Show SMILES CN(CCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-6,8-13,16H,7,14-15,17H2,1H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM294226
PNG
(()-1-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
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US Patent
n/an/a 8.50E+3n/an/an/an/an/an/a



NOBEL ILAÇ SANAYII VE TICARET A.S.

US Patent




US Patent US9586925 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X1C
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024954
PNG
(CHEMBL3335024)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1/C21H24N2O4.ClH/c1-6-23(5)21(25)26-14-11-17(13(2)22(3)4)19-15-9-7-8-10-16(15)20(24)27-18(19)12-14;/h7-13H,6H2,1-5H3;1H
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n/an/a 8.50E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024886
PNG
(CHEMBL3335055)
Show SMILES COc1cccc(CN2CCN(CCCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C29H36N2O4/c1-33-23-8-6-7-22(19-23)21-31-16-14-30(15-17-31)13-4-5-18-34-24-11-12-26-25-9-2-3-10-27(25)29(32)35-28(26)20-24/h6-8,11-12,19-20H,2-5,9-10,13-18,21H2,1H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024889
PNG
(CHEMBL3335052)
Show SMILES O=c1oc2cc(OCCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C29H35NO3/c31-29-27-11-5-4-10-25(27)26-13-12-24(21-28(26)33-29)32-19-7-6-16-30-17-14-23(15-18-30)20-22-8-2-1-3-9-22/h1-3,8-9,12-13,21,23H,4-7,10-11,14-20H2
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n/an/a 9.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50024865
PNG
(CHEMBL3335017)
Show SMILES Cl.CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1/C17H17NO2.ClH/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12;/h4-11H,1-3H3;1H
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n/an/a 1.09E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
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