BDBM50052232 CHEMBL3322718

SMILES: Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

InChI Key: InChIKey=OTHXOQIDEXDBSX-RMKNXTFCSA-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 = 50052232   

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 (Staphylococcus aureus)	BDBM50052232 (CHEMBL3322718) Show SMILES Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1 Show InChI InChI=1S/C23H21N3O3/c1-14-18-4-2-3-5-19(18)29-22(14)17-12-26(13-17)21(28)9-6-15-10-16-7-8-20(27)25-23(16)24-11-15/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,24,25,27)/b9-6+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Aurigene Discovery Technologies Ltd Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI-mediated reduction of enoyl-ACP preincubated for 30 mins measured after 2 hrs by spectrophotometry				Eur J Med Chem 84: 382-94 (2014) Article DOI: 10.1016/j.ejmech.2014.07.036 BindingDB Entry DOI: 10.7270/Q2CJ8G45
					More data for this Ligand-Target Pair