BDBM50205740 CHEMBL3937796

SMILES: CNC(=O)CCN1C(C)c2cc(ccc2S1(=O)=O)-c1c[nH]c2cc(F)ccc12

InChI Key: InChIKey=CDNKQZRLGOBBHA-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50205740   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50205740 (CHEMBL3937796) Show SMILES CNC(=O)CCN1C(C)c2cc(ccc2S1(=O)=O)-c1c[nH]c2cc(F)ccc12 Show InChI InChI=1S/C20H20FN3O3S/c1-12-16-9-13(17-11-23-18-10-14(21)4-5-15(17)18)3-6-19(16)28(26,27)24(12)8-7-20(25)22-2/h3-6,9-12,23H,7-8H2,1-2H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	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
					More data for this Ligand-Target Pair