Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM50205741'   

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))	BDBM50205741 (CHEMBL3947656) Show SMILES CC1N(CC(N)=O)S(=O)(=O)c2ccc(cc12)-c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C18H16FN3O3S/c1-10-14-6-11(15-8-21-16-7-12(19)3-4-13(15)16)2-5-17(14)26(24,25)22(10)9-18(20)23/h2-8,10,21H,9H2,1H3,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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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