BindingDB logo
myBDB logout

1 similar compounds to monomer 50448790

Compile data set for download or QSAR
Wt: 226.0
BDBM22814
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 22814   
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
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.33E+4n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.17E+4n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair