BDBM50129555 (1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-oxacyclooctadeca-4,6-dien-2-yl)-cyclopentanecarboxylic acid::2-((1S,8R,9S,11R,13S,15S,18R)-7-Cyano-16-(S)-hydroxy-8-hydroxy-9,11,13,15-tetramethyl-18-oxo-oxacyclooctadeca-4,6-dien-2-yl)-cyclopentanecarboxylic acid::CHEMBL70590::cid_310900

SMILES C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N

InChI Key InChIKey=OJCKRNPLOZHAOU-UGKRXNSESA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50129555   

TargetThreonine--tRNA ligase(Phytophthora sojae)
Northeast Agricultural University

Curated by ChEMBL
LigandPNGBDBM50129555((1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cy...)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of C-terminal His6-tagged Phytophthora sojae race 1 recombinant ThrRS expressed in Escherichia coli BL21 (Codonplus DE3) assessed as reduc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThreonine--tRNA ligase(Phytophthora sojae)
Northeast Agricultural University

Curated by ChEMBL
LigandPNGBDBM50129555((1R,2R)-2-((4E,6Z)-(2S,8R,9S,11R,13S,15S,16S)-7-cy...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of C-terminal His6-tagged Phytophthora sojae race 1 recombinant ThrRS expressed in Escherichia coli BL21 (Codonplus DE3) assessed as reduc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed