Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM50442994'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50442994 (CHEMBL312537 | US10669273, Compound 5b) Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	834	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Mixed type uncompetitive inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate...				Eur J Med Chem 160: 133-145 (2018) Article DOI: 10.1016/j.ejmech.2018.10.017 BindingDB Entry DOI: 10.7270/Q2GB27GB
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442994 (CHEMBL312537 | US10669273, Compound 5b) Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	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 BindingDB Entry DOI: 10.7270/Q2GB27GB
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442994 (CHEMBL312537 | US10669273, Compound 5b) Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	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 BindingDB Entry DOI: 10.7270/Q2GB27GB
					More data for this Ligand-Target Pair
Tryptophan 2,3-dioxygenase (Homo sapiens (Human))	BDBM50442994 (CHEMBL312537 | US10669273, Compound 5b) Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21 Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+3	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 BindingDB Entry DOI: 10.7270/Q2GB27GB
					More data for this Ligand-Target Pair