BDBM426626 US10543221, Compound 994942::US10543221, Formula 13

SMILES Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O

InChI Key InChIKey=AVDUOTYJUPESMO-UHFFFAOYSA-N

Data  3 KI

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 426626   

TargetUbiquitin-associated domain-containing protein 1(Human)
University of South Florida

US Patent
LigandPNGBDBM426626(US10543221, Formula 13 | US10543221, Compound 9949...)
Affinity DataKi:  488nMAssay Description:Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2020
Entry Details
Go to US Patent

TargetE3 ubiquitin-protein ligase ORTHRUS 5(Mouse-ear cress)
University of South Florida

US Patent
LigandPNGBDBM426626(US10543221, Formula 13 | US10543221, Compound 9949...)
Affinity DataKi:  1.80E+3nMAssay Description:Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2020
Entry Details
Go to US Patent

TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
University of South Florida

US Patent
LigandPNGBDBM426626(US10543221, Formula 13 | US10543221, Compound 9949...)
Affinity DataKi:  5.50E+4nMAssay Description:Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)