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6 similar compounds to monomer 50008551

Compile data set for download or QSAR
Wt: 206.2
BDBM96157
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Wt: 236.2
BDBM50008535
Wt: 206.2
BDBM50008540
Wt: 206.2
BDBM50008549
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Wt: 176.2
BDBM50008552
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Wt: 206.2
BDBM50008559
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 96157,50008535,50008540,50008549,50008552,50008559   
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
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96157
PNG
(4,7-dimethoxy-3-methyl-2,3-dihydroinden-1-one | 4,...)
Show SMILES COc1ccc(OC)c2C(=O)CC(C)c12
Show InChI InChI=1S/C12H14O3/c1-7-6-8(13)12-10(15-3)5-4-9(14-2)11(7)12/h4-5,7H,6H2,1-3H3
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PC cid
PC sid
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PCBioAssay
n/an/a 2.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
Cholinesterases; ACHE & BCHE


(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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Article
PubMed
n/an/a 87n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


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


(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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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


(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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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


(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
PDB
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Article
PubMed
n/an/a 12n/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))
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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Article
PubMed
n/an/a 13n/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))
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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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


(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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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))
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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Article
PubMed
n/an/a 25n/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))
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
PDB
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Article
PubMed
n/an/a 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