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SMILES: Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1

InChI Key: InChIKey=LGVPGNXEZJDHJJ-BOPFTXTBSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50874   
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
Glycoprotein 42


(Human herpesvirus 4 type 2)
BDBM50874
PNG
((2Z)-2-(2-furanylmethylidene)-6-hydroxy-7-(1-piper...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1
Show InChI InChI=1S/C19H19NO4/c21-16-7-6-14-18(22)17(11-13-5-4-10-23-13)24-19(14)15(16)12-20-8-2-1-3-9-20/h4-7,10-11,21H,1-3,8-9,12H2/b17-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.15E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Multidrug efflux pump


(Candida albicans)
BDBM50874
PNG
((2Z)-2-(2-furanylmethylidene)-6-hydroxy-7-(1-piper...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1
Show InChI InChI=1S/C19H19NO4/c21-16-7-6-14-18(22)17(11-13-5-4-10-23-13)24-19(14)15(16)12-20-8-2-1-3-9-20/h4-7,10-11,21H,1-3,8-9,12H2/b17-11-
UniProtKB/TrEMBL

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PCBioAssay
n/an/an/an/a 9.63E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR2


(Candida albicans)
BDBM50874
PNG
((2Z)-2-(2-furanylmethylidene)-6-hydroxy-7-(1-piper...)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1
Show InChI InChI=1S/C19H19NO4/c21-16-7-6-14-18(22)17(11-13-5-4-10-23-13)24-19(14)15(16)12-20-8-2-1-3-9-20/h4-7,10-11,21H,1-3,8-9,12H2/b17-11-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.84E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair