BDBM50194425 CHEMBL218788::alpha-cyclocostunolide

SMILES: CC1=CCC[C@@]2(C)CC[C@H]3[C@@H](OC(=O)C3=C)[C@H]12

InChI Key: InChIKey=UHODXTMZSDNATP-COMQUAJESA-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 = 50194425   

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 (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM50194425 (CHEMBL218788 | alpha-cyclocostunolide) Show SMILES CC1=CCC[C@@]2(C)CC[C@H]3[C@@H](OC(=O)C3=C)[C@H]12 |t:1| Show InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
MurA (P. aeruginosa) (Pseudomonas aeruginosa (G-proteobacteria))	BDBM50194425 (CHEMBL218788 | alpha-cyclocostunolide) Show SMILES CC1=CCC[C@@]2(C)CC[C@H]3[C@@H](OC(=O)C3=C)[C@H]12 |t:1| Show InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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