Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM50549545'   

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))	BDBM50549545 (CHEMBL4743724) Show SMILES [H][C@@]1(CC[C@@]2(COc3ncc(cc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(57.96,-4.25,;57.91,-5.87,;59.24,-5.09,;60.58,-5.86,;60.58,-7.4,;61.86,-6.56,;63.05,-7.53,;62.5,-8.96,;63.19,-10.32,;62.36,-11.6,;60.83,-11.51,;60.14,-10.15,;60.98,-8.87,;59.98,-12.8,;61.31,-13.56,;59.98,-14.33,;58.45,-12.72,;59.24,-8.18,;57.91,-7.41,;56.57,-5.1,;56.57,-3.57,;55.24,-5.88,;55.24,-7.42,;53.9,-5.11,;52.56,-5.89,;52.56,-7.44,;51.23,-8.22,;49.89,-7.44,;48.55,-8.22,;49.89,-5.89,;51.22,-5.13,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TDO in HEK cells				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127738 BindingDB Entry DOI: 10.7270/Q270851B
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