BDBM50255530 CHEMBL516767::N-(4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)butyl)-N-(2-hydroxyethyl)acetamide

SMILES: CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1

InChI Key: InChIKey=SGLOCIXOQYYXBE-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 = 50255530   

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
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255530 (CHEMBL516767 | N-(4-(3-(4-bromophenyl)benzo[d]isot...) Show SMILES CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrN2O3S/c1-15(26)24(11-12-25)10-2-3-13-27-18-8-9-19-20(14-18)28-23-21(19)16-4-6-17(22)7-5-16/h4-9,14,25H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of Arabidopsis thaliana cycloartenol synthase expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50255530 (CHEMBL516767 | N-(4-(3-(4-bromophenyl)benzo[d]isot...) Show SMILES CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrN2O3S/c1-15(26)24(11-12-25)10-2-3-13-27-18-8-9-19-20(14-18)28-23-21(19)16-4-6-17(22)7-5-16/h4-9,14,25H,2-3,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of human OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair
Lanosterol synthase (Saccharomyces cerevisiae)	BDBM50255530 (CHEMBL516767 | N-(4-(3-(4-bromophenyl)benzo[d]isot...) Show SMILES CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrN2O3S/c1-15(26)24(11-12-25)10-2-3-13-27-18-8-9-19-20(14-18)28-23-21(19)16-4-6-17(22)7-5-16/h4-9,14,25H,2-3,10-13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Università di Torino Curated by ChEMBL					Assay Description Inhibition of yeast OSC expressed in Saccharomyces cerevisiae SMY8				Bioorg Med Chem Lett 19: 718-23 (2009) Article DOI: 10.1016/j.bmcl.2008.12.040 BindingDB Entry DOI: 10.7270/Q2SF2W2N
					More data for this Ligand-Target Pair