BDBM45195 4-[(3aS,6aS)-4,6-Dioxo-3-(quinoline-2-carbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]-benzonitrile::4-[(3aS,6aS)-4,6-bis(oxidanylidene)-3-quinolin-2-ylcarbonyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzenecarbonitrile::4-[(3aS,6aS)-4,6-diketo-3-quinaldoyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile::4-[(3aS,6aS)-4,6-dioxo-3-(quinoline-2-carbonyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile::4-[(3aS,6aS)-4,6-dioxo-3-[oxo(2-quinolinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile::MLS000589497::SMR000212884::cid_11901259

SMILES Oc1n(-c2ccc(cc2)C#N)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1

InChI Key InChIKey=XLCUGCKMUQXWFT-UHFFFAOYSA-N

Data  4 EC50

  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 4 hits for monomerid = 45195   

TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM45195(4-[(3aS,6aS)-4,6-Dioxo-3-(quinoline-2-carbonyl)-3a...)
Affinity DataEC50:  7.00E+3nMAssay 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
LigandPNGBDBM45195(4-[(3aS,6aS)-4,6-Dioxo-3-(quinoline-2-carbonyl)-3a...)
Affinity DataEC50:  7.74E+3nMAssay 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
TargetEndoribonuclease toxin MazF(Escherichia coli str. K-12 substr. MG1655)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM45195(4-[(3aS,6aS)-4,6-Dioxo-3-(quinoline-2-carbonyl)-3a...)
Affinity DataEC50:  271nMAssay 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
TargetEndoribonuclease toxin MazF(Escherichia coli str. K-12 substr. MG1655)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM45195(4-[(3aS,6aS)-4,6-Dioxo-3-(quinoline-2-carbonyl)-3a...)
Affinity DataEC50:  1.51E+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