BDBM50030792 CHEMBL3342401

SMILES: Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12

InChI Key: InChIKey=RUPOOQKSFQRRDN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50030792   

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
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50030792 (CHEMBL3342401) Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12 Show InChI InChI=1S/C20H14BrN5OS/c21-15-5-3-14(4-6-15)18-12-28-20-24-11-17(26(18)20)10-23-19(27)25-16-7-1-13(9-22)2-8-16/h1-8,11-12H,10H2,(H2,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ del Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of human recombinant IDO1 assessed as reduction in kynurenine production using L-tryptophan incubated for 60 mins by Ehrlich's reagent bas...				Bioorg Med Chem Lett 28: 651-657 (2018) Article DOI: 10.1016/j.bmcl.2018.01.032 BindingDB Entry DOI: 10.7270/Q24T6MZD
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50030792 (CHEMBL3342401) Show SMILES Brc1ccc(cc1)-c1csc2ncc(CNC(=O)Nc3ccc(cc3)C#N)n12 Show InChI InChI=1S/C20H14BrN5OS/c21-15-5-3-14(4-6-15)18-12-28-20-24-11-17(26(18)20)10-23-19(27)25-16-7-1-13(9-22)2-8-16/h1-8,11-12H,10H2,(H2,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human IDO1 assessed as reduction in convertion of N-formylkynurenine to kynurenine incubated for 30 mins				ACS Med Chem Lett 5: 1119-23 (2014) Article DOI: 10.1021/ml500247w BindingDB Entry DOI: 10.7270/Q2GM88W5
					More data for this Ligand-Target Pair