BDBM59640 2-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]thio]-N-piperonyl-acetamide::MLS000053683::N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide::N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide::N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide::SMR000064374::cid_2999299

SMILES: C=CCn1c(SCC(=O)NCc2ccc3OCOc3c2)nnc1C1COc2ccccc2O1

InChI Key: InChIKey=RVVAUORUXLSRNU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 59640   

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
leucine aminopeptidase (Plasmodium falciparum 3D7)	BDBM59640 (2-[[4-allyl-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1...) Show SMILES C=CCn1c(SCC(=O)NCc2ccc3OCOc3c2)nnc1C1COc2ccccc2O1 Show InChI InChI=1S/C23H22N4O5S/c1-2-9-27-22(20-12-29-16-5-3-4-6-18(16)32-20)25-26-23(27)33-13-21(28)24-11-15-7-8-17-19(10-15)31-14-30-17/h2-8,10,20H,1,9,11-14H2,(H,24,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	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...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8
					More data for this Ligand-Target Pair