BDBM48009 8-fluoranylindolo[2,1-b]quinazoline-6,12-dione::8-fluoroindolo[2,1-b]quinazoline-6,12-dione::8-fluoroindolo[2,1-b]quinazoline-6,12-quinone::MLS001216278::SMR000544298::US10669273, Compound 5c::cid_478574

SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21

InChI Key InChIKey=UXBGZQXHNVNPFT-UHFFFAOYSA-N

Data  3 KI  14 IC50  1 Kd  2 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 20 hits for monomerid = 48009   

TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataKi:  161nMAssay Description:Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataKi:  336nMAssay Description:Uncompetitive inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataKi:  3.50E+3nMAssay Description:Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  6.00E+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 DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  3.80E+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
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
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
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  985nMMore 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
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  985nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  7.60E+3nMAssay Description:Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  23nMAssay Description:Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  534nMAssay Description:Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataKd:  4.68E+4nMAssay Description:Binding affinity to human IDO1 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  68nMAssay Description:Inhibition of TDO (unknown origin) expressed in HEK293 cells using L-Trp as substrate after 8 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  937nMAssay Description:Inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  60nMAssay Description:Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataEC50:  3.00E+5nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  550nMAssay Description:Experimental method: IDO-1 can oxidatively cleave the indole ring of tryptophan to form N-formylkynurenine. Referring to the method in the literature...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataIC50:  433nMAssay 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
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM48009(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Affinity DataEC50:  3.00E+5nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay