BDBM50096873 (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one::Alantolactone::CHEMBL136356

SMILES: C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12

InChI Key: InChIKey=PXOYOCNNSUAQNS-AGNJHWRGSA-N

Data: 4 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 4 hits for monomerid = 50096873   

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
MurA (P. aeruginosa) (Pseudomonas aeruginosa (G-proteobacteria))	BDBM50096873 ((3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,...) Show SMILES C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16| Show InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG				Bioorg Med Chem Lett 16: 5605-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.021 BindingDB Entry DOI: 10.7270/Q20Z742G
					More data for this Ligand-Target Pair
Transcriptional activator Myb (Gallus gallus)	BDBM50096873 ((3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,...) Show SMILES C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16| Show InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assay				Eur J Med Chem 63: 313-20 (2013) Article DOI: 10.1016/j.ejmech.2013.02.018 BindingDB Entry DOI: 10.7270/Q2DB8376
					More data for this Ligand-Target Pair
Transcriptional activator Myb (Gallus gallus)	BDBM50096873 ((3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,...) Show SMILES C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16| Show InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of M£nster Curated by ChEMBL					Assay Description Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assay				Eur J Med Chem 63: 313-20 (2013) Article DOI: 10.1016/j.ejmech.2013.02.018 BindingDB Entry DOI: 10.7270/Q2DB8376
					More data for this Ligand-Target Pair
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50096873 ((3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,...) Show SMILES C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16| Show InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli K12 Mur A in presence of UNAG				Bioorg Med Chem Lett 16: 5605-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.021 BindingDB Entry DOI: 10.7270/Q20Z742G
					More data for this Ligand-Target Pair