BDBM18098 2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol::ethanolamine, 43

SMILES: OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1

InChI Key: InChIKey=WYXMCHIEHJQNKM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 18098   

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
tRNA synthetase (PheRS) (Staphylococcus aureus)	BDBM18098 (2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(4-bromot...) Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1 Show InChI InChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...				Bioorg Med Chem Lett 15: 2305-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.003 BindingDB Entry DOI: 10.7270/Q25D8Q3C
					More data for this Ligand-Target Pair
tRNA synthetase (PheRS) (Haemophilus influenzae)	BDBM18098 (2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(4-bromot...) Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1 Show InChI InChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...				Bioorg Med Chem Lett 15: 2305-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.003 BindingDB Entry DOI: 10.7270/Q25D8Q3C
					More data for this Ligand-Target Pair
tRNA synthetase (PheRS) (Streptococcus pneumoniae)	BDBM18098 (2-({[2-(benzyloxy)phenyl]methyl}amino)-1-(4-bromot...) Show SMILES OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1 Show InChI InChI=1S/C20H20BrNO2S/c21-17-10-20(25-14-17)18(23)12-22-11-16-8-4-5-9-19(16)24-13-15-6-2-1-3-7-15/h1-10,14,18,22-23H,11-13H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.9	37
GSK					Assay Description The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...				Bioorg Med Chem Lett 15: 2305-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.003 BindingDB Entry DOI: 10.7270/Q25D8Q3C
					More data for this Ligand-Target Pair