BindingDB logo
myBDB logout

PubMed code 1738152

Compile data set for download or QSAR
Found 21 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))
BDBM50008574
PNG
(2-[3-(1-Methyl-piperidin-4-yl)-propylidene]-indan-...)
Show SMILES CN1CCC(CCC=C2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C18H23NO/c1-19-11-9-14(10-12-19)5-4-7-16-13-15-6-2-3-8-17(15)18(16)20/h2-3,6-8,14H,4-5,9-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.820n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008578
PNG
(2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,...)
Show SMILES CN1CCC(CCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H20N2O2/c1-17-9-6-12(7-10-17)8-11-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-5,12H,6-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.900n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008576
PNG
(2-[3-(1-Methyl-piperidin-4-yl)-propyl]-indan-1-one...)
Show SMILES CN1CCC(CCCC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C18H25NO/c1-19-11-9-14(10-12-19)5-4-7-16-13-15-6-2-3-8-17(15)18(16)20/h2-3,6,8,14,16H,4-5,7,9-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008584
PNG
(2-[3-(1-Methyl-piperidin-4-yl)-allylidene]-indan-1...)
Show SMILES CN1CCC(CC1)\C=C\C=C1/Cc2ccccc2C1=O
Show InChI InChI=1S/C18H21NO/c1-19-11-9-14(10-12-19)5-4-7-16-13-15-6-2-3-8-17(15)18(16)20/h2-8,14H,9-13H2,1H3/b5-4+,16-7+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008568
PNG
(3-[2-(1-Methyl-piperidin-4-yl)-ethyl]-1H-quinoline...)
Show SMILES CN1CCC(CCc2c(O)c3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C17H22N2O2/c1-19-10-8-12(9-11-19)6-7-14-16(20)13-4-2-3-5-15(13)18-17(14)21/h2-5,12H,6-11H2,1H3,(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008579
PNG
(1-Benzyl-4-methyl-piperidine | CHEMBL158232)
Show SMILES CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C13H19N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008582
PNG
(2-(1-Methyl-piperidin-4-ylmethyl)-indan-1-one | CH...)
Show SMILES CN1CCC(C[C@@H]2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H21NO/c1-17-8-6-12(7-9-17)10-14-11-13-4-2-3-5-15(13)16(14)18/h2-5,12,14H,6-11H2,1H3/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008580
PNG
(2-(1-Methyl-piperidin-4-ylmethyl)-indan-1-one | CH...)
Show SMILES CN1CCC(C[C@H]2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H21NO/c1-17-8-6-12(7-9-17)10-14-11-13-4-2-3-5-15(13)16(14)18/h2-5,12,14H,6-11H2,1H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.70n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008573
PNG
(2-(1-Methyl-piperidin-4-ylmethylene)-indan-1-one |...)
Show SMILES CN1CCC(CC1)\C=C1/Cc2ccccc2C1=O
Show InChI InChI=1S/C16H19NO/c1-17-8-6-12(7-9-17)10-14-11-13-4-2-3-5-15(13)16(14)18/h2-5,10,12H,6-9,11H2,1H3/b14-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.40n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008588
PNG
(1-Cyclohexylmethyl-4-methyl-piperidine | CHEMBL345...)
Show SMILES CC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C13H25N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008570
PNG
(4-Methyl-1-(2-methyl-benzyl)-piperidine | CHEMBL15...)
Show SMILES CC1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C14H21N/c1-12-7-9-15(10-8-12)11-14-6-4-3-5-13(14)2/h3-6,12H,7-11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 10n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008575
PNG
(2-(4-Methyl-piperazin-1-ylmethyl)-indan-1-one | CH...)
Show SMILES CN1CCN(CC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C15H20N2O/c1-16-6-8-17(9-7-16)11-13-10-12-4-2-3-5-14(12)15(13)18/h2-5,13H,6-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 94n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008577
PNG
(4-Methyl-1-(2-nitro-benzyl)-piperidine | CHEMBL347...)
Show SMILES CC1CCN(Cc2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C13H18N2O2/c1-11-6-8-14(9-7-11)10-12-4-2-3-5-13(12)15(16)17/h2-5,11H,6-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 160n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008585
PNG
(4-Methyl-1-phenethyl-piperidine | CHEMBL343237)
Show SMILES CC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C14H21N/c1-13-7-10-15(11-8-13)12-9-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008572
PNG
(4-Methyl-1-naphthalen-1-ylmethyl-piperidine | CHEM...)
Show SMILES CC1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C17H21N/c1-14-9-11-18(12-10-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 220n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008583
PNG
(2-(4-Methyl-piperidin-1-ylmethyl)-indan-1-one | CH...)
Show SMILES CC1CCN(CC2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C16H21NO/c1-12-6-8-17(9-7-12)11-14-10-13-4-2-3-5-15(13)16(14)18/h2-5,12,14H,6-11H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 480n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008571
PNG
(2-(1-Methyl-piperidin-4-ylidene)-indan-1-one | CHE...)
Show SMILES CN1CCC(CC1)=C1Cc2ccccc2C1=O
Show InChI InChI=1S/C15H17NO/c1-16-8-6-11(7-9-16)14-10-12-4-2-3-5-13(12)15(14)17/h2-5H,6-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008586
PNG
(4-Methyl-1-naphthalen-2-ylmethyl-piperidine | CHEM...)
Show SMILES CC1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C17H21N/c1-14-8-10-18(11-9-14)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,14H,8-11,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008587
PNG
(2-(1-Methyl-piperidin-4-yl)-indan-1-one | CHEMBL34...)
Show SMILES CN1CCC(CC1)C1Cc2ccccc2C1=O
Show InChI InChI=1S/C15H19NO/c1-16-8-6-11(7-9-16)14-10-12-4-2-3-5-13(12)15(14)17/h2-5,11,14H,6-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008569
PNG
(4-(1H-Inden-2-ylmethyl)-1-methyl-piperidine | CHEM...)
Show SMILES CN1CCC(CC2=Cc3ccccc3C2)CC1
Show InChI InChI=1S/C16H21N/c1-17-8-6-13(7-9-17)10-14-11-15-4-2-3-5-16(15)12-14/h2-5,11,13H,6-10,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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


(Homo sapiens (human))
BDBM50008581
PNG
((4-Methyl-piperidin-1-yl)-phenyl-methanone | CHEMB...)
Show SMILES CC1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO/c1-11-7-9-14(10-8-11)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase activity


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