BDBM50240612 CHEMBL306946::GNF-PF-2691::Indolo[2,1-b]quinazoline-6,12-dione::TCMDC-125859::TRYPTANTHRIN::US10669273, Compound 5a

SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O

InChI Key InChIKey=VQQVWGVXDIPORV-UHFFFAOYSA-N

Data  3 KI  16 IC50  3 Kd

  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 22 hits for monomerid = 50240612   

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

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataKi:  581nMAssay 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 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataKi:  4.81E+3nMAssay Description:Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataKi:  1.52E+4nMAssay 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
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  54nMAssay 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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  64nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  64nMAssay Description:Inhibition of COX2 in lipopolysaccharide-stimulated human MONO-MAC-6 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  150nMAssay Description:Inhibition of 5-lipooxygenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  64nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  4.99E+5nMAssay Description:Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Yeungnam University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 d...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  194nMAssay 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
TargetTryptophan 2,3-dioxygenase(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  3.94E+3nMAssay 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
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  140nMAssay 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
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  900nMAssay Description:Inhibition of TDO (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 8(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataKd:  2.30E+4nMAssay Description:Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataKd:  9.20E+3nMAssay Description:Binding affinity to human partial length TRKA (G475 to G790 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBDNF/NT-3 growth factors receptor(Homo sapiens (Human))
Montana State University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataKd:  7.20E+3nMAssay Description:Binding affinity to human partial length TRKB (Q547 to G838 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  7.15E+3nMAssay Description:Mixed competitive 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
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  5.50E+3nMAssay 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
TargetIndoleamine 2,3-dioxygenase 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  1.73E+4nMAssay 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 2(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50240612(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Affinity DataIC50:  5.00E+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