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-UHFFFAOYSA-N

Data  2 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50129555   

TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
Affinity DataIC50: 4.98E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
Affinity DataIC50: 4.98E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2013
Entry Details
PCBioAssay
TargetCyclin-dependent kinase 1(Baker's yeast)
Boston University

Curated by ChEMBL
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of cyclin-dependent kinase activity of Cdc28p/CDK2p in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetL-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of Mycobacterium tuberculosis recombinant MBP-tagged MshC assessed as formation of fluorescently labeled Cys-GlcN-Ins by HPLCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2011
Entry Details Article
PubMed
TargetThreonine--tRNA ligase(Soybean stem and root rot agent)
Northeast Agricultural University

Curated by ChEMBL
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
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 Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
Targetthreonine--tRNA ligase(Plasmodium falciparum (isolate 3D7))
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
Affinity DataIC50: 43nMAssay Description:Inhibition of Plasmodium falciparum Threonyl tRNA synthetaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
Targetthreonine--tRNA ligase(Plasmodium falciparum (isolate 3D7))
Latvian Institute of Organic Synthesis

Curated by ChEMBL
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
Affinity DataKi:  160nMAssay Description:Inhibition of Plasmodium falciparum Threonyl tRNA synthetase expressed in Escherichia coli Rossetta 2 (DE3) assessed as apparent inhibition constant ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetThreonine--tRNA ligase(Soybean stem and root rot agent)
Northeast Agricultural University

Curated by ChEMBL
LigandPNGBDBM50129555(CHEMBL70590 | cid_310900 | 2-((1S,8R,9S,11R,13S,15...)
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 Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed