BDBM24812 (3R,4R)-3,4-dihydroxy-2,2-dimethyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-5,10-dione::Pyranonaphthoquinone derivative, 53

SMILES: CC1(C)OC2=C([C@@H](O)[C@H]1O)C(=O)c1ccccc1C2=O

InChI Key: InChIKey=BWUBVTJKPLBVDI-TZMCWYRMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24812   

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))	BDBM24812 ((3R,4R)-3,4-dihydroxy-2,2-dimethyl-2H,3H,4H,5H,10H...) Show SMILES CC1(C)OC2=C([C@@H](O)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C15H14O5/c1-15(2)14(19)12(18)9-10(16)7-5-3-4-6-8(7)11(17)13(9)20-15/h3-6,12,14,18-19H,1-2H3/t12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bryn Mawr College					Assay Description The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...				J Med Chem 51: 1706-18 (2008) Article DOI: 10.1021/jm7014155 BindingDB Entry DOI: 10.7270/Q2VD6WSV
					More data for this Ligand-Target Pair