BDBM190657 PT425

SMILES: CCCCCCc1ccn(Cc2ccc(N)cc2)c(=O)c1

InChI Key: InChIKey=IHLMYJLPKQBWLU-UHFFFAOYSA-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 = 190657   

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 T276S (T276S ypFabV) (Yersinia pestis (Enterobacteria))	BDBM190657 (PT425) Show SMILES CCCCCCc1ccn(Cc2ccc(N)cc2)c(=O)c1 Show InChI InChI=1S/C18H24N2O/c1-2-3-4-5-6-15-11-12-20(18(21)13-15)14-16-7-9-17(19)10-8-16/h7-13H,2-6,14,19H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair
Enoyl-ACP reductase (Wt ypFabV) (Yersinia pestis (Enterobacteria))	BDBM190657 (PT425) Show SMILES CCCCCCc1ccn(Cc2ccc(N)cc2)c(=O)c1 Show InChI InChI=1S/C18H24N2O/c1-2-3-4-5-6-15-11-12-20(18(21)13-15)14-16-7-9-17(19)10-8-16/h7-13H,2-6,14,19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg					Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet...				Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3
					More data for this Ligand-Target Pair