BDBM42076 4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one::4-[[1-[(2-chlorophenyl)methyl]-3-indolyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one::4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one::4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one::MLS000548709::SMR000172336::cid_3154666

SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O

InChI Key InChIKey=BSFXHEDVIBMBTQ-UHFFFAOYSA-N

Data  4 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 42076   

TargetAcetyl-CoA acetyltransferase/HMG-CoA reductase(Enterococcus faecalis)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM42076(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Affinity DataIC50:  9.10E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEndoribonuclease toxin MazF(Escherichia coli str. K-12 substr. MG1655)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42076(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Affinity DataEC50: >9.90E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42076(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Affinity DataIC50:  5.42E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42076(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Affinity DataIC50:  4.89E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42076(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Affinity DataIC50:  4.89E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEndoribonuclease toxin MazF(Escherichia coli str. K-12 substr. MG1655)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42076(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Affinity DataEC50: >9.90E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay