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PubMed code 1738151

Compile data set for download or QSAR
Found 69 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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PubMed
n/an/a 0.430n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008564
PNG
(1-Fluoro-3-methyl-benzene | CHEMBL345698)
Show SMILES Cc1cccc(F)c1
Show InChI InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
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n/an/a 1n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008561
PNG
(6-Hydroxy-5-methoxy-2-methyl-indan-1-one | CHEMBL3...)
Show SMILES COc1cc2CC(C)C(=O)c2cc1O
Show InChI InChI=1S/C11H12O3/c1-6-3-7-4-10(14-2)9(12)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008543
PNG
(1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...)
Show SMILES Cc1ccc(O)cc1
Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
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PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008556
PNG
(1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...)
Show SMILES Cc1cccc(C)c1
Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008563
PNG
(3-nitrotoluene | CHEMBL114059)
Show SMILES Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
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n/an/a 4n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008565
PNG
(5,6-Dimethoxy-2-methyl-indan-1-one | CHEMBL154848)
Show SMILES COc1cc2CC(C)C(=O)c2cc1OC
Show InChI InChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008558
PNG
(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
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n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Choline Acetyltransferase


(RAT)
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 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008542
PNG
(5,6-Diethoxy-2-methyl-indan-1-one | CHEMBL158242)
Show SMILES CCOc1cc2CC(C)C(=O)c2cc1OCC
Show InChI InChI=1S/C14H18O3/c1-4-16-12-7-10-6-9(3)14(15)11(10)8-13(12)17-5-2/h7-9H,4-6H2,1-3H3
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n/an/a 6.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008566
PNG
(2,4-Dimethyl-indan-1-one | CHEMBL352247)
Show SMILES CC1Cc2c(cccc2C)C1=O
Show InChI InChI=1S/C11H12O/c1-7-4-3-5-9-10(7)6-8(2)11(9)12/h3-5,8H,6H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008557
PNG
(5-Isopropoxy-6-methoxy-2-methyl-indan-1-one | CHEM...)
Show SMILES COc1cc2C(=O)C(C)Cc2cc1OC(C)C
Show InChI InChI=1S/C14H18O3/c1-8(2)17-13-6-10-5-9(3)14(15)11(10)7-12(13)16-4/h6-9H,5H2,1-4H3
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n/an/a 8.90n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008541
PNG
(1-Fluoro-2-methyl-benzene | CHEMBL352215)
Show SMILES Cc1ccccc1F
Show InChI InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
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n/an/a 9.60n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008544
PNG
(1-Fluoro-4-methyl-benzene | CHEMBL346605)
Show SMILES Cc1ccc(F)cc1
Show InChI InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
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n/an/a 9.60n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008560
PNG
(1,2-Dimethylbenzol | 1,2-dimethylbenzene | 1,2-xyl...)
Show SMILES Cc1ccccc1C
Show InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008552
PNG
(4-Methoxy-2-methyl-indan-1-one | CHEMBL422338)
Show SMILES COc1cccc2C(=O)C(C)Cc12
Show InChI InChI=1S/C11H12O2/c1-7-6-9-8(11(7)12)4-3-5-10(9)13-2/h3-5,7H,6H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008535
PNG
(5,6,7-Trimethoxy-2-methyl-indan-1-one | CHEMBL4401...)
Show SMILES COc1cc2CC(C)C(=O)c2c(OC)c1OC
Show InChI InChI=1S/C13H16O4/c1-7-5-8-6-9(15-2)12(16-3)13(17-4)10(8)11(7)14/h6-7H,5H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008559
PNG
(4,5-Dimethoxy-2-methyl-indan-1-one | CHEMBL155371)
Show SMILES COc1ccc2C(=O)C(C)Cc2c1OC
Show InChI InChI=1S/C12H14O3/c1-7-6-9-8(11(7)13)4-5-10(14-2)12(9)15-3/h4-5,7H,6H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008550
PNG
(6-Methyl-6,7-dihydro-indeno[5,6-d][1,3]dioxol-5-on...)
Show SMILES CC1Cc2cc3OCOc3cc2C1=O
Show InChI InChI=1S/C11H10O3/c1-6-2-7-3-9-10(14-5-13-9)4-8(7)11(6)12/h3-4,6H,2,5H2,1H3
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n/an/a 23n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008549
PNG
(5,7-Dimethoxy-2-methyl-indan-1-one | CHEMBL152826)
Show SMILES COc1cc2CC(C)C(=O)c2c(OC)c1
Show InChI InChI=1S/C12H14O3/c1-7-4-8-5-9(14-2)6-10(15-3)11(8)12(7)13/h5-7H,4H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008551
PNG
(4,7-Dimethoxy-2-methyl-indan-1-one | CHEMBL423419)
Show SMILES COc1ccc(OC)c2C(=O)C(C)Cc12
Show InChI InChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
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n/an/a 36n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008562
PNG
(4-Aminotoluene | 4-Methylbenzenamine | 4-Toluidine...)
Show SMILES Cc1ccc(N)cc1
Show InChI InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
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n/an/a 36n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
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n/an/a 40n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008548
PNG
(1-hydroxy-3-methylbenzene | 3-cresol | 3-methylphe...)
Show SMILES Cc1cccc(O)c1
Show InChI InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
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n/an/a 46n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
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 52n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against acetylcholinesterase


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008553
PNG
(2,6-Dimethyl-indan-1-one | CHEMBL157327)
Show SMILES CC1Cc2ccc(C)cc2C1=O
Show InChI InChI=1S/C11H12O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8H,6H2,1-2H3
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n/an/a 69n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008547
PNG
(6-Methoxy-2-methyl-indan-1-one | CHEMBL347023)
Show SMILES COc1ccc2CC(C)C(=O)c2c1
Show InChI InChI=1S/C11H12O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h3-4,6-7H,5H2,1-2H3
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n/an/a 81n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008540
PNG
(6,7-Dimethoxy-2-methyl-indan-1-one | CHEMBL350916)
Show SMILES COc1ccc2CC(C)C(=O)c2c1OC
Show InChI InChI=1S/C12H14O3/c1-7-6-8-4-5-9(14-2)12(15-3)10(8)11(7)13/h4-5,7H,6H2,1-3H3
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n/an/a 87n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008545
PNG
(4-nitrotoluene | CHEMBL155320)
Show SMILES Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
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n/an/a 100n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008546
PNG
(2-Methyl-indan-1-one | CHEMBL155191)
Show SMILES CC1Cc2ccccc2C1=O
Show InChI InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
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n/an/a 148n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008554
PNG
(6-Fluoro-2-methyl-indan-1-one | CHEMBL155499)
Show SMILES CC1Cc2ccc(F)cc2C1=O
Show InChI InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
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n/an/a 200n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008537
PNG
(1-Methoxy-3-methyl-benzene | CHEMBL349791)
Show SMILES COc1cccc(C)c1
Show InChI InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
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n/an/a 219n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008554
PNG
(6-Fluoro-2-methyl-indan-1-one | CHEMBL155499)
Show SMILES CC1Cc2ccc(F)cc2C1=O
Show InChI InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008552
PNG
(4-Methoxy-2-methyl-indan-1-one | CHEMBL422338)
Show SMILES COc1cccc2C(=O)C(C)Cc12
Show InChI InChI=1S/C11H12O2/c1-7-6-9-8(11(7)12)4-3-5-10(9)13-2/h3-5,7H,6H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008540
PNG
(6,7-Dimethoxy-2-methyl-indan-1-one | CHEMBL350916)
Show SMILES COc1ccc2CC(C)C(=O)c2c1OC
Show InChI InChI=1S/C12H14O3/c1-7-6-8-4-5-9(14-2)12(15-3)10(8)11(7)13/h4-5,7H,6H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008551
PNG
(4,7-Dimethoxy-2-methyl-indan-1-one | CHEMBL423419)
Show SMILES COc1ccc(OC)c2C(=O)C(C)Cc12
Show InChI InChI=1S/C12H14O3/c1-7-6-8-9(14-2)4-5-10(15-3)11(8)12(7)13/h4-5,7H,6H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008535
PNG
(5,6,7-Trimethoxy-2-methyl-indan-1-one | CHEMBL4401...)
Show SMILES COc1cc2CC(C)C(=O)c2c(OC)c1OC
Show InChI InChI=1S/C13H16O4/c1-7-5-8-6-9(15-2)12(16-3)13(17-4)10(8)11(7)14/h6-7H,5H2,1-4H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008549
PNG
(5,7-Dimethoxy-2-methyl-indan-1-one | CHEMBL152826)
Show SMILES COc1cc2CC(C)C(=O)c2c(OC)c1
Show InChI InChI=1S/C12H14O3/c1-7-4-8-5-9(14-2)6-10(15-3)11(8)12(7)13/h5-7H,4H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008542
PNG
(5,6-Diethoxy-2-methyl-indan-1-one | CHEMBL158242)
Show SMILES CCOc1cc2CC(C)C(=O)c2cc1OCC
Show InChI InChI=1S/C14H18O3/c1-4-16-12-7-10-6-9(3)14(15)11(10)8-13(12)17-5-2/h7-9H,4-6H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008566
PNG
(2,4-Dimethyl-indan-1-one | CHEMBL352247)
Show SMILES CC1Cc2c(cccc2C)C1=O
Show InChI InChI=1S/C11H12O/c1-7-4-3-5-9-10(7)6-8(2)11(9)12/h3-5,8H,6H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008559
PNG
(4,5-Dimethoxy-2-methyl-indan-1-one | CHEMBL155371)
Show SMILES COc1ccc2C(=O)C(C)Cc2c1OC
Show InChI InChI=1S/C12H14O3/c1-7-6-9-8(11(7)13)4-5-10(14-2)12(9)15-3/h4-5,7H,6H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008561
PNG
(6-Hydroxy-5-methoxy-2-methyl-indan-1-one | CHEMBL3...)
Show SMILES COc1cc2CC(C)C(=O)c2cc1O
Show InChI InChI=1S/C11H12O3/c1-6-3-7-4-10(14-2)9(12)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008539
PNG
(5-Hydroxy-6-methoxy-2-methyl-indan-1-one | CHEMBL1...)
Show SMILES COc1cc2C(=O)C(C)Cc2cc1O
Show InChI InChI=1S/C11H12O3/c1-6-3-7-4-9(12)10(14-2)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008550
PNG
(6-Methyl-6,7-dihydro-indeno[5,6-d][1,3]dioxol-5-on...)
Show SMILES CC1Cc2cc3OCOc3cc2C1=O
Show InChI InChI=1S/C11H10O3/c1-6-2-7-3-9-10(14-5-13-9)4-8(7)11(6)12/h3-4,6H,2,5H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008547
PNG
(6-Methoxy-2-methyl-indan-1-one | CHEMBL347023)
Show SMILES COc1ccc2CC(C)C(=O)c2c1
Show InChI InChI=1S/C11H12O2/c1-7-5-8-3-4-9(13-2)6-10(8)11(7)12/h3-4,6-7H,5H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008539
PNG
(5-Hydroxy-6-methoxy-2-methyl-indan-1-one | CHEMBL1...)
Show SMILES COc1cc2C(=O)C(C)Cc2cc1O
Show InChI InChI=1S/C11H12O3/c1-6-3-7-4-9(12)10(14-2)5-8(7)11(6)13/h4-6,12H,3H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008565
PNG
(5,6-Dimethoxy-2-methyl-indan-1-one | CHEMBL154848)
Show SMILES COc1cc2CC(C)C(=O)c2cc1OC
Show InChI InChI=1S/C12H14O3/c1-7-4-8-5-10(14-2)11(15-3)6-9(8)12(7)13/h5-7H,4H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008557
PNG
(5-Isopropoxy-6-methoxy-2-methyl-indan-1-one | CHEM...)
Show SMILES COc1cc2C(=O)C(C)Cc2cc1OC(C)C
Show InChI InChI=1S/C14H18O3/c1-8(2)17-13-6-10-5-9(3)14(15)11(10)7-12(13)16-4/h6-9H,5H2,1-4H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008553
PNG
(2,6-Dimethyl-indan-1-one | CHEMBL157327)
Show SMILES CC1Cc2ccc(C)cc2C1=O
Show InChI InChI=1S/C11H12O/c1-7-3-4-9-6-8(2)11(12)10(9)5-7/h3-5,8H,6H2,1-2H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008546
PNG
(2-Methyl-indan-1-one | CHEMBL155191)
Show SMILES CC1Cc2ccccc2C1=O
Show InChI InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
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n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1.3-380 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008555
PNG
(1-Methoxy-4-methyl-benzene | CHEMBL154155)
Show SMILES COc1ccc(C)cc1
Show InChI InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
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n/an/a 3.63E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008536
PNG
(1,2-Dimethoxy-4-methyl-benzene | CHEMBL273904)
Show SMILES COc1ccc(C)cc1OC
Show InChI InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008538
PNG
(1,2,3-Trimethoxy-5-methyl-benzene | CHEMBL156710)
Show SMILES COc1cc(C)cc(OC)c1OC
Show InChI InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008567
PNG
(1,4-Dimethylbenzol | 1,4-xylene | 4-methyltoluene ...)
Show SMILES Cc1ccc(C)cc1
Show InChI InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008564
PNG
(1-Fluoro-3-methyl-benzene | CHEMBL345698)
Show SMILES Cc1cccc(F)c1
Show InChI InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008556
PNG
(1,3-Dimethylbenzol | 1,3-xylene | 3-xylene | CHEMB...)
Show SMILES Cc1cccc(C)c1
Show InChI InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008558
PNG
(CHEMBL9113 | Toluen | Toluol | phenylmethane | tol...)
Show SMILES Cc1ccccc1
Show InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008543
PNG
(1-hydroxy-4-methylbenzene | 4-cresol | 4-methylphe...)
Show SMILES Cc1ccc(O)cc1
Show InChI InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008541
PNG
(1-Fluoro-2-methyl-benzene | CHEMBL352215)
Show SMILES Cc1ccccc1F
Show InChI InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008548
PNG
(1-hydroxy-3-methylbenzene | 3-cresol | 3-methylphe...)
Show SMILES Cc1cccc(O)c1
Show InChI InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008562
PNG
(4-Aminotoluene | 4-Methylbenzenamine | 4-Toluidine...)
Show SMILES Cc1ccc(N)cc1
Show InChI InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008560
PNG
(1,2-Dimethylbenzol | 1,2-dimethylbenzene | 1,2-xyl...)
Show SMILES Cc1ccccc1C
Show InChI InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008537
PNG
(1-Methoxy-3-methyl-benzene | CHEMBL349791)
Show SMILES COc1cccc(C)c1
Show InChI InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008536
PNG
(1,2-Dimethoxy-4-methyl-benzene | CHEMBL273904)
Show SMILES COc1ccc(C)cc1OC
Show InChI InChI=1S/C9H12O2/c1-7-4-5-8(10-2)9(6-7)11-3/h4-6H,1-3H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008538
PNG
(1,2,3-Trimethoxy-5-methyl-benzene | CHEMBL156710)
Show SMILES COc1cc(C)cc(OC)c1OC
Show InChI InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008563
PNG
(3-nitrotoluene | CHEMBL114059)
Show SMILES Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008555
PNG
(1-Methoxy-4-methyl-benzene | CHEMBL154155)
Show SMILES COc1ccc(C)cc1
Show InChI InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008544
PNG
(1-Fluoro-4-methyl-benzene | CHEMBL346605)
Show SMILES Cc1ccc(F)cc1
Show InChI InChI=1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50008545
PNG
(4-nitrotoluene | CHEMBL155320)
Show SMILES Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
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PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
IC50 against acetylcholinesterase; value ranges from 1-4900 nM.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%