BDBM42216 3-(4-fluoroanilino)-2H-isoquinolin-1-one::3-(4-fluoroanilino)isocarbostyril::3-[(4-fluorophenyl)amino]-2H-isoquinolin-1-one::MLS000565365::SMR000152650::cid_2323972

SMILES Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1

InChI Key InChIKey=PEHOEPBOSMZVKX-UHFFFAOYSA-N

Data  12 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 12 hits for monomerid = 42216   

TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50: >5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-conjugating enzyme UBC9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  1.12E+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
TargetSUMO-activating enzyme subunit 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  3.38E+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
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  7.66E+3nMAssay 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
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  6.03E+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
TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  2.99E+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
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  1.46E+3nMAssay 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 DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  3.76E+3nMAssay 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 DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
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 DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42216(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Affinity DataIC50:  4.77E+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