BDBM530912 (S)-N1-(2,3- diaminopropyl)-4- (4- (hydroxymethyl) piperidin-1-yl)-3- (1H-tetrazol-5- yl)benzene-1,2- disulfonamide::US11207312, Example 44

SMILES NC[C@H](N)CNS(=O)(=O)c1ccc(N2CCC(CO)CC2)c(-c2nnn[nH]2)c1S(N)(=O)=O

InChI Key InChIKey=GSOMLHAHEABUCB-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 530912   

TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM530912(US11207312, Example 44 | (S)-N1-(2,3- diaminopropy...)
Affinity DataIC50: 0.360nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2022
Entry Details
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TargetBeta-lactamase(Pseudomonas aeruginosa)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM530912(US11207312, Example 44 | (S)-N1-(2,3- diaminopropy...)
Affinity DataIC50: 0.560nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2022
Entry Details
Go to US Patent

TargetVIM-1 metallo-beta-lactamase(Pseudomonas aeruginosa (g-Proteobacteria))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM530912(US11207312, Example 44 | (S)-N1-(2,3- diaminopropy...)
Affinity DataIC50: 0.0600nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2022
Entry Details
Go to US Patent

TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM530912(US11207312, Example 44 | (S)-N1-(2,3- diaminopropy...)
Affinity DataIC50: 0.630nMAssay Description:The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2022
Entry Details
Go to US Patent