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BDBM87566 MLS001234228::SMR000811655::[4-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-2-furanyl)methanone::[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrofuran-2-yl)methanone::[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazino]-(5-nitro-2-furyl)methanone::[4-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]-(5-nitrofuran-2-yl)methanone::cid_7539642

SMILES: [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1

InChI Key: InChIKey=VRSINMROUNVKEL-UHFFFAOYSA-N

Data: 3 EC50

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 = 87566   
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
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87566
PNG
(MLS001234228 | SMR000811655 | [4-(4,6-difluoro-1,3...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C16H12F2N4O4S/c17-9-7-10(18)14-12(8-9)27-16(19-14)21-5-3-20(4-6-21)15(23)11-1-2-13(26-11)22(24)25/h1-2,7-8H,3-6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 8.90E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.08.005
BindingDB Entry DOI: 10.7270/Q2MK6BGR
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87566
PNG
(MLS001234228 | SMR000811655 | [4-(4,6-difluoro-1,3...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C16H12F2N4O4S/c17-9-7-10(18)14-12(8-9)27-16(19-14)21-5-3-20(4-6-21)15(23)11-1-2-13(26-11)22(24)25/h1-2,7-8H,3-6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 390n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2B27SW7
More data for this
Ligand-Target Pair
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87566
PNG
(MLS001234228 | SMR000811655 | [4-(4,6-difluoro-1,3...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C16H12F2N4O4S/c17-9-7-10(18)14-12(8-9)27-16(19-14)21-5-3-20(4-6-21)15(23)11-1-2-13(26-11)22(24)25/h1-2,7-8H,3-6H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.93E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q23N220P
More data for this
Ligand-Target Pair