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BDBM76483 MLS000335917::SMR000253671::[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] benzoate::[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate::benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester::benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester::cid_2125022

SMILES: CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1

InChI Key: InChIKey=UGNRNQBDZWLGRU-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 76483   
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
SUMO/sentrin specific peptidase family member 8


(Homo sapiens)
BDBM76483
PNG
(MLS000335917 | SMR000253671 | [2-(7-ethyl-1H-indol...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens)
BDBM76483
PNG
(MLS000335917 | SMR000253671 | [2-(7-ethyl-1H-indol...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem

Similars

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM76483
PNG
(MLS000335917 | SMR000253671 | [2-(7-ethyl-1H-indol...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
PDB
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KEGG

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM76483
PNG
(MLS000335917 | SMR000253671 | [2-(7-ethyl-1H-indol...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM76483
PNG
(MLS000335917 | SMR000253671 | [2-(7-ethyl-1H-indol...)
Show SMILES CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
Show InChI InChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 4.99E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair