BDBM50241708 CHEMBL465019::annulin A

SMILES: CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(O)(OC3(C)C)C(=O)OC

InChI Key: InChIKey=YRVWWGFREKZPIN-UHFFFAOYSA-N

Data: 1 KI

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 = 50241708   

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))	BDBM50241708 (CHEMBL465019 | annulin A) Show SMILES CCc1c(C)cc2C(=O)C3=C(C(=O)c2c1O)C(O)(OC3(C)C)C(=O)OC |c:9| Show InChI InChI=1S/C19H20O7/c1-6-9-8(2)7-10-11(14(9)20)16(22)13-12(15(10)21)18(3,4)26-19(13,24)17(23)25-5/h7,20,24H,6H2,1-5H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Inhibition of human indoleamine 2,3-dioxygenase expressed in Escherichia coli by spectrophotometric activity assay				J Nat Prod 69: 1496-9 (2006) Article DOI: 10.1021/np060111x BindingDB Entry DOI: 10.7270/Q27W6BZQ
					More data for this Ligand-Target Pair