Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' and Ligand = 'BDBM50138828'   

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))	BDBM50138828 (CHEMBL3752060 | US10233190, Example 1417) Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1 |r| Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of TDO in human SW48 cells after 24 hrs by NFK green reagent based assay				ACS Med Chem Lett 11: 541-549 (2020) Article DOI: 10.1021/acsmedchemlett.0c00004 BindingDB Entry DOI: 10.7270/Q2RR22JS
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