BindingDB logo
myBDB logout

6 similar compounds to monomer 50008550

Compile data set for download or QSAR
Wt: 192.2
BDBM50008539
Wt: 192.2
BDBM50008561
Wt: 206.2
BDBM50008565
Purchase
Wt: 326.3
BDBM50310594
Wt: 296.3
BDBM50310597
Wt: 356.3
BDBM50310598

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50008539,50008561,50008565,50310594,50310597,50310598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterases; ACHE & BCHE


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310598
PNG
(2-(3,4-dimethoxybenzoyl)-5,6-dimethoxy-2,3-dihydro...)
Show SMILES COc1ccc(cc1OC)C(=O)C1Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C20H20O6/c1-23-15-6-5-11(8-16(15)24-2)19(21)14-7-12-9-17(25-3)18(26-4)10-13(12)20(14)22/h5-6,8-10,14H,7H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310594
PNG
(5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydro-1H-...)
Show SMILES COc1ccc(cc1)C(=O)C1Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C19H18O5/c1-22-13-6-4-11(5-7-13)18(20)15-8-12-9-16(23-2)17(24-3)10-14(12)19(15)21/h4-7,9-10,15H,8H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310597
PNG
(2-benzoyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one...)
Show SMILES COc1cc2CC(C(=O)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H16O4/c1-21-15-9-12-8-14(17(19)11-6-4-3-5-7-11)18(20)13(12)10-16(15)22-2/h3-7,9-10,14H,8H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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.


J Med Chem 35: 584-9 (1992)


Article DOI: 10.1021/jm00081a022
BindingDB Entry DOI: 10.7270/Q20G3J3J
More data for this
Ligand-Target Pair