BDBM42068 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester::4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester::MLS000389072::SMR000255246::[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::cid_4350340

SMILES CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1C

InChI Key InChIKey=ZRTFNFNZSJOQOW-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 42068   

TargetGalanin receptor type 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42068(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...)
Affinity DataIC50: >4.20E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTegument protein VP16(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42068(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...)
Affinity DataIC50:  8.54E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCOUP transcription factor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42068(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...)
Affinity DataIC50:  6.50E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGalanin receptor type 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42068(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...)
Affinity DataIC50: >4.20E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay