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BDBM53644 2-[4-[(1-tert-amyltetrazol-5-yl)-(6-quinolyl)methyl]piperazino]-1,3-benzothiazole::2-[4-[[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-quinolin-6-yl-methyl]piperazin-1-yl]-1,3-benzothiazole::2-[4-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(6-quinolinyl)methyl]-1-piperazinyl]-1,3-benzothiazole::2-[4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]-1,3-benzothiazole::6-{(4-Benzothiazol-2-yl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-quinoline::MLS000034621::SMR000003953::cid_647101

SMILES: CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2ncccc2c1

InChI Key: InChIKey=ALRDNAJHXXHHEE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 53644   
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))
BDBM53644
PNG
(2-[4-[(1-tert-amyltetrazol-5-yl)-(6-quinolyl)methy...)
Show SMILES CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2ncccc2c1
Show InChI InChI=1S/C27H30N8S/c1-4-27(2,3)35-25(30-31-32-35)24(20-11-12-21-19(18-20)8-7-13-28-21)33-14-16-34(17-15-33)26-29-22-9-5-6-10-23(22)36-26/h5-13,18,24H,4,14-17H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.11E+4n/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)


Article DOI: 10.1021/cb400452z
BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair