BDBM50509643 CHEMBL4578545

SMILES: CS(=N)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O

InChI Key: InChIKey=DIMXYAVLHCBXKO-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 = 50509643   

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))	BDBM50509643 (CHEMBL4578545) Show SMILES CS(=N)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C14H16BrFN6O4S2/c1-28(17,25)7-11(23)18-4-5-27-14-12(21-26-22-14)13(20-24)19-8-2-3-10(16)9(15)6-8/h2-3,6,17,24H,4-5,7H2,1H3,(H,18,23)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50509643 (CHEMBL4578545) Show SMILES CS(=N)(=O)CC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O Show InChI InChI=1S/C14H16BrFN6O4S2/c1-28(17,25)7-11(23)18-4-5-27-14-12(21-26-22-14)13(20-24)19-8-2-3-10(16)9(15)6-8/h2-3,6,17,24H,4-5,7H2,1H3,(H,18,23)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...				ACS Med Chem Lett 11: 179-187 (2020) Article DOI: 10.1021/acsmedchemlett.9b00572
					More data for this Ligand-Target Pair