Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50006611   

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 (Escherichia coli)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501133 (CHEMBL3827314) Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(C#CC#CC2CC2)c(F)c1 |r| Show InChI InChI=1S/C17H13FN2O4/c18-14-9-13(20-10-15(16(21)19-23)24-17(20)22)8-7-12(14)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10H2,(H,19,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501144 (CHEMBL3827965) Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C#CC#CC1CC1 |r| Show InChI InChI=1S/C17H14N2O4/c20-16(18-22)15-11-19(17(21)23-15)14-9-7-13(8-10-14)4-2-1-3-12-5-6-12/h7-10,12,15,22H,5-6,11H2,(H,18,20)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501136 (CHEMBL3827345) Show SMILES OC[C@H]1C[C@@H]1C#CC#Cc1ccc(cc1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C18H16N2O5/c21-11-14-9-13(14)4-2-1-3-12-5-7-15(8-6-12)20-10-16(17(22)19-24)25-18(20)23/h5-8,13-14,16,21,24H,9-11H2,(H,19,22)/t13-,14+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501139 (CHEMBL3827962) Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(C#CC#CC2CC2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C17H13N3O6/c21-16(18-23)15-10-19(17(22)26-15)13-8-7-12(14(9-13)20(24)25)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10H2,(H,18,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501135 (CHEMBL3827305) Show SMILES OCCCC#CC#Cc1ccc(cc1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C17H16N2O5/c20-11-5-3-1-2-4-6-13-7-9-14(10-8-13)19-12-15(16(21)18-23)24-17(19)22/h7-10,15,20,23H,3,5,11-12H2,(H,18,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501145 (CHEMBL3828313) Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H23N3O5/c27-22(24-29)21-16-26(23(28)31-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-25-11-13-30-14-12-25/h3-10,21,29H,11-16H2,(H,24,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501143 (CHEMBL3828674) Show SMILES OCCC#CC#Cc1ccc(cc1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C16H14N2O5/c19-10-4-2-1-3-5-12-6-8-13(9-7-12)18-11-14(15(20)17-22)23-16(18)21/h6-9,14,19,22H,4,10-11H2,(H,17,20)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501137 (CHEMBL3827730) Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1F)C#CC#CC1CC1 |r| Show InChI InChI=1S/C17H13FN2O4/c18-13-9-12(4-2-1-3-11-5-6-11)7-8-14(13)20-10-15(16(21)19-23)24-17(20)22/h7-9,11,15,23H,5-6,10H2,(H,19,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501146 (CHEMBL3827891) Show SMILES ONC(=O)[C@H]1CN(C(=O)O1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H23N3O5/c27-22(24-29)21-16-26(23(28)31-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-25-11-13-30-14-12-25/h3-10,21,29H,11-16H2,(H,24,27)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501138 (CHEMBL3827035) Show SMILES Nc1cc(ccc1C#CC#CC1CC1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C17H15N3O4/c18-14-9-13(20-10-15(16(21)19-23)24-17(20)22)8-7-12(14)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10,18H2,(H,19,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501134 (CHEMBL3827313) Show SMILES ONC(=O)[C@@H]1CN(C(=O)CO1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C24H25N3O5/c28-23-17-32-22(24(29)25-30)16-27(23)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-26-11-13-31-14-12-26/h3-10,22,30H,11-17H2,(H,25,29)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501140 (CHEMBL3828138) Show SMILES ONC(=O)[C@@H]1CN(C(=O)N1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H24N4O4/c28-22(25-30)21-16-27(23(29)24-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-26-11-13-31-14-12-26/h3-10,21,30H,11-16H2,(H,24,29)(H,25,28)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501141 (CHEMBL3828670) Show SMILES ONC(=O)c1ccc(=O)n(c1)-c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C25H23N3O4/c29-24-12-9-22(25(30)26-31)18-28(24)23-10-7-20(8-11-23)2-1-19-3-5-21(6-4-19)17-27-13-15-32-16-14-27/h3-12,18,31H,13-17H2,(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501142 (CHEMBL3828607) Show SMILES COc1cc(ccc1N1C[C@H](OC1=O)C(=O)NO)C#CC#CC1CC1 |r| Show InChI InChI=1S/C18H16N2O5/c1-24-15-10-13(5-3-2-4-12-6-7-12)8-9-14(15)20-11-16(17(21)19-23)25-18(20)22/h8-10,12,16,23H,6-7,11H2,1H3,(H,19,21)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis				ACS Med Chem Lett 7: 623-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00057 BindingDB Entry DOI: 10.7270/Q2DV1NWV
					More data for this Ligand-Target Pair