BDBM50509642 CHEMBL4461796

SMILES: NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C#N)=N\O

InChI Key: InChIKey=AQQBARGZMCCGSE-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 = 50509642   

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))	BDBM50509642 (CHEMBL4461796) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C#N)=N\O Show InChI InChI=1S/C14H15N7O5S2/c15-7-9-2-1-3-10(6-9)18-13(19-23)12-14(21-26-20-12)27-5-4-17-11(22)8-28(16,24)25/h1-3,6,23H,4-5,8H2,(H,17,22)(H,18,19)(H2,16,24,25)	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	240	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
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM50509642 (CHEMBL4461796) Show SMILES NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(c1)C#N)=N\O Show InChI InChI=1S/C14H15N7O5S2/c15-7-9-2-1-3-10(6-9)18-13(19-23)12-14(21-26-20-12)27-5-4-17-11(22)8-28(16,24)25/h1-3,6,23H,4-5,8H2,(H,17,22)(H,18,19)(H2,16,24,25)	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	44	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