BDBM50442987 8-Bromotryptanthrin::CHEMBL72165
SMILES: Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
InChI Key: InChIKey=INPHXCCBDRGBRF-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay 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... | Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate | J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va... | Eur J Med Chem 123: 171-179 (2016) Article DOI: 10.1016/j.ejmech.2016.07.013 BindingDB Entry DOI: 10.7270/Q2M90BNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry | J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrs | Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 574 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate | J Med Chem 56: 8321-31 (2013) Article DOI: 10.1021/jm401195n BindingDB Entry DOI: 10.7270/Q2X34ZWS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of TDO (unknown origin) expressed in HEK293 cells using L-Trp as substrate after 8 hrs | Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptophan 2,3-dioxygenase (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 937 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins | Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay 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... | Eur J Med Chem 123: 171-179 (2016) Article DOI: 10.1016/j.ejmech.2016.07.013 BindingDB Entry DOI: 10.7270/Q2M90BNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Indoleamine 2,3-dioxygenase 2 (Homo sapiens (Human)) | BDBM50442987 (8-Bromotryptanthrin | CHEMBL72165) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University Curated by ChEMBL | Assay Description Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft... | Eur J Med Chem 123: 171-179 (2016) Article DOI: 10.1016/j.ejmech.2016.07.013 BindingDB Entry DOI: 10.7270/Q2M90BNZ | |||||||||||
More data for this Ligand-Target Pair |