BDBM83955 (5Z)-8-bromo-2-[(dimethylamino)methyl]-4-keto-3-methyl-5-semicarbazono-benz[e]indole-1-carboxylic acid ethyl ester;hydrochloride::(5Z)-8-bromo-5-(carbamoylhydrazinylidene)-2-[(dimethylamino)methyl]-3-methyl-4-oxo-1-benzo[e]indolecarboxylic acid ethyl ester;hydrochloride::MLS001197317::SMR000555468::cid_24762077::ethyl (5E)-5-[(aminocarbonyl)hydrazono]-8-bromo-2-[(dimethylamino)methyl]-3-methyl-4-oxo-4,5-dihydro-3H-benzo[e]indole-1-carboxylate::ethyl (5Z)-5-(aminocarbonylhydrazinylidene)-8-bromanyl-2-[(dimethylamino)methyl]-3-methyl-4-oxidanylidene-benzo[e]indole-1-carboxylate;hydrochloride::ethyl (5Z)-8-bromo-5-(carbamoylhydrazinylidene)-2-[(dimethylamino)methyl]-3-methyl-4-oxobenzo[e]indole-1-carboxylate;hydrochloride

SMILES CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(N=NC(N)=O)c3ccc(Br)cc3c12

InChI Key InChIKey=MQHUFUXBAXMQAM-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 83955   

TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83955BDBM83955(SMR000555468 | cid_24762077 | ethyl (5Z)-8-bromo-5...)
Affinity DataIC50: 1.21E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetCaspase-9(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83955BDBM83955(SMR000555468 | cid_24762077 | ethyl (5Z)-8-bromo-5...)
Affinity DataIC50: 1.58E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay
TargetApoptotic protease-activating factor 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83955BDBM83955(SMR000555468 | cid_24762077 | ethyl (5Z)-8-bromo-5...)
Affinity DataIC50: 1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay