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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 = 'BDBM65977'   
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)
BDBM65977
PNG
(1-ethenyl-5-(4-ethylphenyl)-2-pyrrolecarboxylic ac...)
Show SMILES CCc1ccc(cc1)-c1ccc(C(O)=O)n1C=C
Show InChI InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
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)
BDBM65977
PNG
(1-ethenyl-5-(4-ethylphenyl)-2-pyrrolecarboxylic ac...)
Show SMILES CCc1ccc(cc1)-c1ccc(C(O)=O)n1C=C
Show InChI InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
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)
BDBM65977
PNG
(1-ethenyl-5-(4-ethylphenyl)-2-pyrrolecarboxylic ac...)
Show SMILES CCc1ccc(cc1)-c1ccc(C(O)=O)n1C=C
Show InChI InChI=1S/C15H15NO2/c1-3-11-5-7-12(8-6-11)13-9-10-14(15(17)18)16(13)4-2/h4-10H,2-3H2,1H3,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/an/an/a 2.58E+4n/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