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SMILES: COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1

InChI Key: InChIKey=NOEWYNKFGHBGCD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 38548   

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
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38548 (4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazo...) Show SMILES COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1 Show InChI InChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM38548 (4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazo...) Show SMILES COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1 Show InChI InChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>2.60E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38548 (4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazo...) Show SMILES COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1 Show InChI InChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
Mevalonate kinase (Streptococcus pneumoniae D39)	BDBM38548 (4-[2-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazo...) Show SMILES COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1 Show InChI InChI=1S/C16H21N3O4S/c1-20-13-4-2-3-5-14(13)22-12-15-17-18-16(23-15)24-11-8-19-6-9-21-10-7-19/h2-5H,6-12H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair