BindingDB logo
myBDB logout

BDBM60311 2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic acid ethyl ester::4,5-diketo-2-methyl-3H-benz[e]indole-1-carboxylic acid ethyl ester::MLS000701140::SMR000226436::cid_1736294::ethyl 2-methyl-4,5-bis(oxidanylidene)-3H-benzo[e]indole-1-carboxylate::ethyl 2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylate::ethyl 2-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate

SMILES: CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O

InChI Key: InChIKey=OIWQLSMNVRMWRN-UHFFFAOYSA-N

Data: 5 IC50  1 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 6 hits for monomerid = 60311   
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
plectin 1


(Homo sapiens (Human))
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.00E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.57E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 915n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.70E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.37E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.37E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair