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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vma11p' and Ligand = 'BDBM87567'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vma11p


(Saccharomyces cerevisiae S288c)
BDBM87567
PNG
(MLS001234266 | SMR000811639 | [4-(6-fluoranyl-1,3-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C16H13FN4O4S/c17-10-1-2-11-13(9-10)26-16(18-11)20-7-5-19(6-8-20)15(22)12-3-4-14(25-12)21(23)24/h1-4,9H,5-8H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 384n/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)
BDBM87567
PNG
(MLS001234266 | SMR000811639 | [4-(6-fluoranyl-1,3-...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C16H13FN4O4S/c17-10-1-2-11-13(9-10)26-16(18-11)20-7-5-19(6-8-20)15(22)12-3-4-14(25-12)21(23)24/h1-4,9H,5-8H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.64E+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/Q2MK6BGR
More data for this
Ligand-Target Pair