Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.6 BDBM361318

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM361318 ((S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (amin...) Show SMILES NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM361318 ((S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (amin...) Show SMILES NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Beta-lactamase ()	BDBM361318 ((S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (amin...) Show SMILES NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0870	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM361318 ((S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (amin...) Show SMILES NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0870	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM361318 ((S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (amin...) Show SMILES NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM361318 ((S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (amin...) Show SMILES NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair