BDBM367676 1-(1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine (OAA2168)::US10227327, Example 3

SMILES COc1ccc(Cn2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1

InChI Key InChIKey=GEECLUYZBYXMQI-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 367676   

TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Universitetet | Oslo

US Patent
LigandPNGBDBM367676(US10227327, Example 3 | 1-(1-(4-methoxybenzyl)-1H-...)
Affinity DataIC50: 380nMAssay Description:a. Transfer 50 μl LB with 0.8 mM IPTG (0.4 mM final concentration in assay) to each wellb. Add 1 μl inhibitor/positive control (500/1000 &#...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetVIM-2 type metallo-beta-lactamase(Pseudomonas aeruginosa)
Universitetet | Oslo

US Patent
LigandPNGBDBM367676(US10227327, Example 3 | 1-(1-(4-methoxybenzyl)-1H-...)
Affinity DataIC50: 1.98E+4nMAssay Description:a. Transfer 50 μl LB with 0.8 mM IPTG (0.4 mM final concentration in assay) to each wellb. Add 1 μl inhibitor/positive control (500/1000 &#...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent

TargetMetallo-beta-lactamase GIM-1(Pseudomonas aeruginosa)
Universitetet | Oslo

US Patent
LigandPNGBDBM367676(US10227327, Example 3 | 1-(1-(4-methoxybenzyl)-1H-...)
Affinity DataIC50: 2.26E+3nMAssay Description:a. Transfer 50 μl LB with 0.8 mM IPTG (0.4 mM final concentration in assay) to each wellb. Add 1 μl inhibitor/positive control (500/1000 &#...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details
Go to US Patent