Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM50205803'   

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))	BDBM50205803 (CHEMBL3975938) Show SMILES CC1N(CC2(C)COC(=O)N2)S(=O)(=O)c2ccc(cc12)-c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C21H20FN3O4S/c1-12-16-7-13(17-9-23-18-8-14(22)4-5-15(17)18)3-6-19(16)30(27,28)25(12)10-21(2)11-29-20(26)24-21/h3-9,12,23H,10-11H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of TDO2 in human A172 cells assessed as kynurenine formation after overnight incubation				ACS Med Chem Lett 8: 11-13 (2017) Article DOI: 10.1021/acsmedchemlett.6b00458 BindingDB Entry DOI: 10.7270/Q2CZ395S
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