BDBM50428361 CHEMBL2331731::Ethyl Lucidenate A

SMILES: CCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O

InChI Key: InChIKey=AQLBEZWXOMWPSR-RBYMTXCUSA-N

Data: 1 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 1 hit for monomerid = 50428361   

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
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50428361 (CHEMBL2331731 | Ethyl Lucidenate A) Show SMILES CCOC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:15| Show InChI InChI=1S/C29H42O6/c1-8-35-23(34)10-9-16(2)17-13-22(33)29(7)25-18(30)14-20-26(3,4)21(32)11-12-27(20,5)24(25)19(31)15-28(17,29)6/h16-18,20,30H,8-15H2,1-7H3/t16-,17-,18+,20+,27+,28-,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis				J Nat Prod 76: 489-94 (2013) Article DOI: 10.1021/np300443p BindingDB Entry DOI: 10.7270/Q2PG1T1D
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