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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 849   
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
PDB
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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)
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



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))
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))
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))
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))
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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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))
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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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))
BDBM294219
PNG
(()-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
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n/an/a 1.09E+4n/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))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
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 1.10E+4n/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))
BDBM294225
PNG
(()-3-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
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n/an/a 1.27E+4n/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))
BDBM294222
PNG
(()-1-(1-(dimethylamino)ethyl)-3-methoxy-6H-benzo[...)
Show SMILES COc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
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n/an/a 1.51E+4n/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))
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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n/an/a 1.62E+4n/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))
BDBM294219
PNG
(()-3-(1-(dimethylamino)ethyl)-6H-benzo[c]chromen-...)
Show SMILES CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
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n/an/a 1.79E+4n/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))
BDBM294223
PNG
(()-3-(1-(dimethylamino)ethyl)-1-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
PDB
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n/an/a 1.89E+4n/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))
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 2.11E+4n/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))
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 2.19E+4n/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))
BDBM294222
PNG
(()-1-(1-(dimethylamino)ethyl)-3-methoxy-6H-benzo[...)
Show SMILES COc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
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n/an/a 2.47E+4n/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))
BDBM294224
PNG
(()-1-(1-(dimethylamino)ethyl)-3-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)cc2oc(=O)c3ccccc3c12
PDB
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n/an/a 3.31E+4n/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))
BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
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 3.52E+4n/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))
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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n/an/a>4.00E+4n/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))
BDBM294225
PNG
(()-3-(1-(dimethylamino)ethyl)-6-oxo-6H-benzo[c]ch...)
Show SMILES CCN(C)C(=O)Oc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
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n/an/a 4.00E+4n/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))
BDBM294224
PNG
(()-1-(1-(dimethylamino)ethyl)-3-hydroxy-6H-benzo[...)
Show SMILES CC(N(C)C)c1cc(O)cc2oc(=O)c3ccccc3c12
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n/an/a>4.00E+4n/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