BindingDB PrimarySearch

BDBM50350248 CHEMBL1812545

SMILES: Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1

InChI Key: InChIKey=JDBSZVDIUIRSDG-UHFFFAOYSA-N

Data: 4 KI 13 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50350248
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Xihua University Curated by ChEMBL					Assay Description Inhibition of TDO (unknown origin)				Bioorg Med Chem 27: 1087-1098 (2019) Article DOI: 10.1016/j.bmc.2019.02.014
Xihua University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
University of Namur Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formy...				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
University of Namur Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Inhibition of recombinant human TDO expressed in Escherichia coli using L-Trp as substrate after 10 to 60 mins				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.47E+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 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
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of mouse TDO in P815 clone 12 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig Center for Cancer Research of the University of Lausanne Curated by ChEMBL					Assay Description Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis				J Med Chem 55: 5270-90 (2012) Article DOI: 10.1021/jm300260v BindingDB Entry DOI: 10.7270/Q27H1KNW
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	671	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
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	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
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+4	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
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant pEF6/V5-His-tagged TDO2 transfected in HEK293-EBNA cells using L-tryptophan as substrate by HPLC analysis				J Med Chem 62: 9161-9174 (2019) Article DOI: 10.1021/acs.jmedchem.9b01079
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...				J Med Chem 54: 5320-34 (2011) Article DOI: 10.1021/jm2006782 BindingDB Entry DOI: 10.7270/Q2RF5W11
University of Namur Curated by ChEMBL					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of mouse IDO1				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
Colorado College Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of recombinant human TDO expressed in Escherichia coli BL21 using L-Trp as substrate incubated for 30 mins by enzymatic assay				Bioorg Med Chem Lett 30: (2020)
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of human TDO				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
Colorado College Curated by ChEMBL					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Mus musculus)	BDBM50350248 (CHEMBL1812545) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Colorado College Curated by ChEMBL					Assay Description Inhibition of mouse TDO				J Med Chem 58: 8762-82 (2015) BindingDB Entry DOI: 10.7270/Q2C82C3F
Colorado College Curated by ChEMBL					More data for this Ligand-Target Pair