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BDBM53655 1-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-5-fluoro-1H-benzotriazole::1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinyl]-5-fluorobenzotriazole::1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidyl]-5-fluoro-benzotriazole::1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-fluoranyl-benzotriazole::1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-5-fluorobenzotriazole::MLS000074693::SMR000006510::cid_651033

SMILES: Fc1ccc2n(nnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1

InChI Key: InChIKey=KVZMPQNPWLPBGJ-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 = 53655   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Zinc aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM53655
PNG
(1-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-pi...)
Show SMILES Fc1ccc2n(nnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H19FN4O4S/c20-13-1-3-17-16(11-13)21-22-24(17)14-5-7-23(8-6-14)29(25,26)15-2-4-18-19(12-15)28-10-9-27-18/h1-4,11-12,14H,5-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.18E+3n/an/an/an/an/an/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 (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair