BDBM50255475 2-((5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pent-4-ynyl)(ethyl)amino)ethanol::CHEMBL520270

SMILES: CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1

InChI Key: InChIKey=WGFNYNVHQAKQPA-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 = 50255475   

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
Lanosterol synthase (Homo sapiens (Human))	BDBM50255475 (2-((5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pe...) Show SMILES CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H23BrN2OS/c1-2-25(14-15-26)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16,26H,2-3,5,13-15H2,1H3	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	230	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)	BDBM50255475 (2-((5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pe...) Show SMILES CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H23BrN2OS/c1-2-25(14-15-26)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16,26H,2-3,5,13-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	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
Cycloartenol synthase (Arabidopsis thaliana)	BDBM50255475 (2-((5-(3-(4-bromophenyl)benzo[d]isothiazol-6-yl)pe...) Show SMILES CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H23BrN2OS/c1-2-25(14-15-26)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16,26H,2-3,5,13-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	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