BDBM24801 (3S,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-5,10-dione::Pyranonaphthoquinone derivative, 40

SMILES: CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O

InChI Key: InChIKey=PWJHHLDOTFKWMM-KSSFIOAISA-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 = 24801   

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))	BDBM24801 ((3S,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3...) Show SMILES CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12| Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-14-13-15(21)11-8-6-7-9-12(11)16(22)17(13)24-19(2,3)18(14)23/h6-9,14,18,20,23H,4-5,10H2,1-3H3/t14-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of 2,3 dioxygenase				Eur J Med Chem 45: 4004-12 (2010) Article DOI: 10.1016/j.ejmech.2010.05.057 BindingDB Entry DOI: 10.7270/Q2HX1CW5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase (Homo sapiens (Human))	BDBM24801 ((3S,4S)-4-(butylamino)-3-hydroxy-2,2-dimethyl-2H,3...) Show SMILES CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12| Show InChI InChI=1S/C19H23NO4/c1-4-5-10-20-14-13-15(21)11-8-6-7-9-12(11)16(22)17(13)24-19(2,3)18(14)23/h6-9,14,18,20,23H,4-5,10H2,1-3H3/t14-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	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