BDBM119070 Cnicin (compound 5)

SMILES: OC[C@@H](O)C(=C)C(=O)OC1C\C=C\CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12

InChI Key: InChIKey=ISMNFZNURFAKDQ-COVJUXETSA-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 = 119070   

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))	BDBM119070 (Cnicin (compound 5)) Show SMILES OC[C@@H](O)C(=C)C(=O)OC1C\C=C\CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12 |r,t:11,17| Show InChI InChI=1S/C19H24O7/c1-11(14(22)10-21)18(23)25-15-7-5-3-4-6-13(9-20)8-16-17(15)12(2)19(24)26-16/h3,5,8,14-17,20-22H,1-2,4,6-7,9-10H2/b5-3+,13-8-/t14-,15?,16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM119070 (Cnicin (compound 5)) Show SMILES OC[C@@H](O)C(=C)C(=O)OC1C\C=C\CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12 |r,t:11,17| Show InChI InChI=1S/C19H24O7/c1-11(14(22)10-21)18(23)25-15-7-5-3-4-6-13(9-20)8-16-17(15)12(2)19(24)26-16/h3,5,8,14-17,20-22H,1-2,4,6-7,9-10H2/b5-3+,13-8-/t14-,15?,16-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair