BDBM50194429 (-)-parthenolide::(1aR,7aS,10aS,10bS,Z)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8-hexahydro-11-oxa-bicyclo[8.1.0]undeca-1(10),4-dieno[9,8-b]furan-9(1aH,10aH,10bH)-one::(Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-methylene-3,14-dioxa-tricyclo[9.3.0.0*2,4*]tetradec-7-en-13-one::CHEMBL540445::PARTHENOLIDE

SMILES C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1

InChI Key InChIKey=KTEXNACQROZXEV-UHFFFAOYSA-N

Data  3 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50194429   

TargetUDP-N-acetylglucosamine 1-carboxyvinyltransferase(Escherichia coli (strain K12))
Saarland University

Curated by ChEMBL
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Escherichia coli K12 Mur A in presence of UNAGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetUDP-N-acetylglucosamine 1-carboxyvinyltransferase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Saarland University

Curated by ChEMBL
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataIC50: 2.78E+4nMAssay Description:Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
The University of Mississippi

Curated by ChEMBL
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of iNOS in LPS-induced mouse RAW264.7 cells assessed as inhibition of nitric acid at measured after 24 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataIC50: 800nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rabbit)
University of Montana

Curated by PDSP Ki Database
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
University of Montana

Curated by ChEMBL
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataKi:  1.00E+5nMAssay Description:Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
University of Montana

Curated by ChEMBL
LigandPNGBDBM50194429(CHEMBL540445 | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-...)
Affinity DataKi:  2.50E+5nMAssay Description:Displacement of [3H]ketanserin from 5HT2A receptor in rat brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed