BDBM50030800 CHEMBL3342393

SMILES: Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3cccc(Cl)c3)n12

InChI Key: InChIKey=XLEXBEMTJAGGPY-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50030800   

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))	BDBM50030800 (CHEMBL3342393) Show SMILES Cc1ccc(cc1)-c1csc2ncc(C(=O)NCCc3cccc(Cl)c3)n12 Show InChI InChI=1S/C21H18ClN3OS/c1-14-5-7-16(8-6-14)19-13-27-21-24-12-18(25(19)21)20(26)23-10-9-15-3-2-4-17(22)11-15/h2-8,11-13H,9-10H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90E+3	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				3D Structure (crystal)