BDBM50123841 CHEMBL3623429

SMILES: CCCCn1cc(Oc2ccc(C)cc2C)c(=O)cc1COc1ccccc1

InChI Key: InChIKey=JPJDXGMXFBFGTP-UHFFFAOYSA-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 = 50123841   

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
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus)	BDBM50123841 (CHEMBL3623429) Show SMILES CCCCn1cc(Oc2ccc(C)cc2C)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C24H27NO3/c1-4-5-13-25-16-24(28-23-12-11-18(2)14-19(23)3)22(26)15-20(25)17-27-21-9-7-6-8-10-21/h6-12,14-16H,4-5,13,17H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair