BDBM24804 (3R,4S)-3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-5,10-dione::Pyranonaphthoquinone derivative, 43

SMILES: CC1(C)OC2=C([C@@H]([C@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O

InChI Key: InChIKey=IOIBZYVYMUNJAS-KBXCAEBGSA-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 = 24804   

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))	BDBM24804 ((3R,4S)-3-hydroxy-2,2-dimethyl-4-(morpholin-4-yl)-...) Show SMILES CC1(C)OC2=C([C@@H]([C@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4| Show InChI InChI=1S/C19H21NO5/c1-19(2)18(23)14(20-7-9-24-10-8-20)13-15(21)11-5-3-4-6-12(11)16(22)17(13)25-19/h3-6,14,18,23H,7-10H2,1-2H3/t14-,18+/m0/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	361	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