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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alkanal monooxygenase alpha chain' and Ligand = 'BDBM65978'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alkanal monooxygenase alpha chain


(Vibrio harveyi)
BDBM65978
PNG
(MLS000690454 | N-[({4-[(dimethylamino)sulfonyl]phe...)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-20(2)25(22,23)15-10-8-14(9-11-15)18-17(24)19-16(21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,18,19,21,24)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing,Auto-inducer 2(AI-2),Vibrio harveyi,LuxS,LuxPQ,LuxO,LuxU,luciferase,Luminescence Assay Overview: A modified strain of Vibri...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22R3Q4F
More data for this
Ligand-Target Pair
Alkanal monooxygenase alpha chain


(Vibrio harveyi)
BDBM65978
PNG
(MLS000690454 | N-[({4-[(dimethylamino)sulfonyl]phe...)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-20(2)25(22,23)15-10-8-14(9-11-15)18-17(24)19-16(21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,18,19,21,24)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, LuxPQ receptor, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathwa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2736PC9
More data for this
Ligand-Target Pair
Alkanal monooxygenase alpha chain


(Vibrio harveyi)
BDBM65978
PNG
(MLS000690454 | N-[({4-[(dimethylamino)sulfonyl]phe...)
Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C17H19N3O3S2/c1-20(2)25(22,23)15-10-8-14(9-11-15)18-17(24)19-16(21)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,18,19,21,24)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS,LuxPQ,LuxO,LuxU,LuxR,luciferase,Luminescence Assay Overview: A modified strain ...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400179m
BindingDB Entry DOI: 10.7270/Q2PG1Q5Z
More data for this
Ligand-Target Pair