Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'puerta' and Initial = 'dt'   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase ()	BDBM50200120 (CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
FORGE THERAPEUTICS, INC. US Patent					Assay Description LpxC inhibition assays were performed using liquid chromatography with tandem mass spectrometry. Assays were performed, in duplicate, in opaque, 96-w...				US Patent US10875832 (2020) BindingDB Entry DOI: 10.7270/Q2SX6H9K
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563144 (US11407740, Compound 17) Show SMILES C[C@H](CF)NCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563146 (US11407740, Compound 19 | US11407740, Compound 20) Show SMILES Oc1c(CC(C(=O)NCCF)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563154 (US11407740, Compound 38) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CNC2CCS(=O)(=O)C2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563255 (US11407740, Compound 65) Show SMILES NC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563259 (US11407740, Compound 130) Show SMILES Oc1c(CC(CNCCC#N)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563262 (US11407740, Compound 139) Show SMILES Oc1c(CC(NCCCF)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563263 (US11407740, Compound 141) Show SMILES CC(CF)NC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563267 (US11407740, Compound 169) Show SMILES C[C@@H](CO)NCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563268 (US11407740, Compound 171) Show SMILES C[C@H](CO)NCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563269 (US11407740, Compound 172) Show SMILES Oc1c(CC(NCCCCl)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563273 (US11407740, Compound 191) Show SMILES Oc1c(CC(N2Cc3cc(cn3C2=O)C#Cc2ccc(CN3CCOCC3)cc2)C(=O)NCC(F)F)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563275 (US11407740, Compound 193) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)N1Cc2cc(cn2C1=O)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563289 (US11407740, Compound 240 | US11407740, Compound 24...) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCC(CC2)NC(=O)CO)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563294 (US11407740, Compound 289) Show SMILES CS(=O)(=O)NC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563298 (US11407740, Compound 299) Show SMILES COC1CN(Cc2ccc(cc2)C#Cc2ccc(cc2)[C@@H](Cc2nc[nH]c(=O)c2O)NS(C)(=O)=O)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563124 (US11407740, Compound 7) Show SMILES Oc1c(CC(CNCCF)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563125 (US11407740, Compound 14) Show SMILES C[C@@H](CF)NCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563152 (US11407740, Compound 23) Show SMILES CNC(=O)C(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563155 (US11407740, Compound 43) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CCN[C@H]2CCOC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563156 (US11407740, Compound 44) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN[C@@H]2CCN(C2)C(=O)CO)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563160 (US11407740, Compound 54) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCNCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563174 (US11407740, Compound 56) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CNC2CCS(=N)(=O)C2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563175 (US11407740, Compound 57) Show SMILES COCCNCc1ccc(cc1)C#Cc1ccc(cc1)C(CO)Cc1nc[nH]c(=O)c1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563180 (US11407740, Compound 60) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CNC2CCS(=O)C2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563254 (US11407740, Compound 64) Show SMILES NC1(Cc2ccc(cc2)C#Cc2ccc(cc2)C(CO)Cc2nc[nH]c(=O)c2O)CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563256 (6-(3-(((S)-1-fluoropropan-2-yl)amino)-2-(4-((4-((3...) Show SMILES COC1CN(Cc2ccc(cc2)C#Cc2ccc(cc2)C(CN[C@@H](C)CF)Cc2nc[nH]c(=O)c2O)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563257 (US11407740, Compound 71) Show SMILES COC1CN(CC(Cc2nc[nH]c(=O)c2O)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563258 (US11407740, Compound 101) Show SMILES COC1CN(Cc2ccc(cc2)C#Cc2ccc(cc2)C(CNCC(C)F)Cc2nc[nH]c(=O)c2O)C1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563261 (US11407740, Compound 138) Show SMILES CC(F)CNCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CCN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563265 (US11407740, Compound 148) Show SMILES NC[C@H]1CCCN1Cc1ccc(cc1)C#Cc1ccc(cc1)C(CO)Cc1nc[nH]c(=O)c1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563270 (US11407740, Compound 173) Show SMILES NC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN[C@@H]2CCOC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563271 (US11407740, Compound 174) Show SMILES COC1CCN(Cc2ccc(cc2)C#Cc2ccc(cc2)C(N)Cc2nc[nH]c(=O)c2O)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563272 (US11407740, Compound 177) Show SMILES Oc1c(CC(CN2CCC2)c2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563274 (US11407740, Compound 192) Show SMILES COC(=O)C(Cc1nc[nH]c(=O)c1O)N1Cc2cc(cn2C1=O)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563276 (US11407740, Compound 194) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1cnn(CC2CCOCC2)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563277 (US11407740, Compound 199) Show SMILES Cn1cc(cn1)C#Cc1ccc(cc1)C(CNCCF)Cc1nc[nH]c(=O)c1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563279 (US11407740, Compound 201) Show SMILES NC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1cnn(c1)C1COC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563280 (US11407740, Compound 202) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1cnn(c1)C1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563285 (US11407740, Compound 209) Show SMILES Oc1c(CC2CCc3cc(ccc23)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563286 (US11407740, Compound 210) Show SMILES Oc1c(CC2NC(=O)c3cc(ccc23)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563287 (US11407740, Compound 211) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)n1ccc(cc1=O)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563289 (US11407740, Compound 240 | US11407740, Compound 24...) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCC(CC2)NC(=O)CO)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563289 (US11407740, Compound 240 | US11407740, Compound 24...) Show SMILES OCC(Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCC(CC2)NC(=O)CO)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563292 (US11407740, Compound 287) Show SMILES COC[C@@H](Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN[C@H]2CCNC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563293 (US11407740, Compound 288) Show SMILES COC[C@@H](Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN[C@@H]2CCNC2)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563295 (US11407740, Compound 296) Show SMILES CS(=O)(=O)N[C@@H](Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(cc1)C1(O)CCNCC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM563296 (US11407740, Compound 297) Show SMILES CS(=O)(=O)N[C@@H](Cc1nc[nH]c(=O)c1O)c1ccc(cc1)C#Cc1ccc(CN2CCNC[C@H]2CO)cc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description IC50 values against E. coli LpxC were determined using a Rapid Fire MS assay as previously described J. Med. Chem. 2012, 55, 1662-1670.				Citation and Details BindingDB Entry DOI: 10.7270/Q2GM8BH2
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase ()	BDBM476343 (US10875832, Compound 98) Show SMILES Oc1c(CNc2ccc(cc2)C#Cc2ccc(CN3CCOCC3)cc2)nc[nH]c1=O Show InChI InChI=1S/C24H24N4O3/c29-23-22(26-17-27-24(23)30)15-25-21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)16-28-11-13-31-14-12-28/h3-10,17,25,29H,11-16H2,(H,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
FORGE THERAPEUTICS, INC. US Patent					Assay Description LpxC inhibition assays were performed using liquid chromatography with tandem mass spectrometry. Assays were performed, in duplicate, in opaque, 96-w...				US Patent US10875832 (2020) BindingDB Entry DOI: 10.7270/Q2SX6H9K
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase ()	BDBM476342 (US10875832, Compound 97) Show SMILES Oc1c(CNc2ccc(cc2)C#CC#Cc2ccc(cc2)C(=O)N2CCOCC2)nc[nH]c1=O Show InChI InChI=1S/C26H22N4O4/c31-24-23(28-18-29-25(24)32)17-27-22-11-7-20(8-12-22)4-2-1-3-19-5-9-21(10-6-19)26(33)30-13-15-34-16-14-30/h5-12,18,27,31H,13-17H2,(H,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
FORGE THERAPEUTICS, INC. US Patent					Assay Description LpxC inhibition assays were performed using liquid chromatography with tandem mass spectrometry. Assays were performed, in duplicate, in opaque, 96-w...				US Patent US10875832 (2020) BindingDB Entry DOI: 10.7270/Q2SX6H9K
					More data for this Ligand-Target Pair

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