Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'dzink-fox' and Initial = 'j'   

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 (Pseudomonas aeruginosa)	BDBM50469565 (CHEMBL4082918) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)NCC(O)=O)C(=O)NO |r| Show InChI InChI=1S/C21H25N3O5/c1-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(27)23-19(21(28)24-29)13(2)22-12-18(25)26/h4-11,13,19,22,29H,3,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/t13-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469558 (CHEMBL4061041) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C19H23N3O3/c1-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(23)21-17(12(2)20)19(24)22-25/h4-12,17,25H,3,20H2,1-2H3,(H,21,23)(H,22,24)/t12-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50249583 (CHEMBL4097399) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469562 (CHEMBL4069725) Show SMILES C[C@@H](N)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H19N3O3/c1-13(20)17(19(24)22-25)21-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,25H,20H2,1H3,(H,21,23)(H,22,24)/t13-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469559 (CHEMBL4063087) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)NCC(=O)N1CCNC(=O)C1)C(=O)NO |r| Show InChI InChI=1S/C25H31N5O5/c1-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)24(33)28-23(25(34)29-35)16(2)27-14-22(32)30-13-12-26-21(31)15-30/h4-11,16,23,27,35H,3,12-15H2,1-2H3,(H,26,31)(H,28,33)(H,29,34)/t16-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469555 (CHEMBL4090716) Show SMILES C[C@@H](NCC(=O)N1CCNC(=O)C1)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C25H27N5O5/c1-17(27-15-22(32)30-14-13-26-21(31)16-30)23(25(34)29-35)28-24(33)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-12,17,23,27,35H,13-16H2,1H3,(H,26,31)(H,28,33)(H,29,34)/t17-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469560 (CHEMBL4083624) Show SMILES CC#CCOc1ccc(cc1)C(=O)NC(C(=O)NO)C(C)(C)N Show InChI InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469563 (CHEMBL4079368) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C15H19N3O4/c1-3-4-9-22-12-7-5-11(6-8-12)14(19)17-13(10(2)16)15(20)18-21/h5-8,10,13,21H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t10-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469550 (CHEMBL4070478) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C15H19N3O4/c1-3-4-9-22-12-7-5-11(6-8-12)14(19)17-13(10(2)16)15(20)18-21/h5-8,10,13,21H,9,16H2,1-2H3,(H,17,19)(H,18,20)/t10-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469557 (CHEMBL4091408) Show SMILES CCCCc1ccc(cc1)C(=O)N[C@@H]([C@@H](C)N)C(=O)NO |r| Show InChI InChI=1S/C15H23N3O3/c1-3-4-5-11-6-8-12(9-7-11)14(19)17-13(10(2)16)15(20)18-21/h6-10,13,21H,3-5,16H2,1-2H3,(H,17,19)(H,18,20)/t10-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469554 (CHEMBL4061854) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@@H](N)C(F)(F)F)C(=O)NO |r| Show InChI InChI=1S/C15H16F3N3O4/c1-2-3-8-25-10-6-4-9(5-7-10)13(22)20-11(14(23)21-24)12(19)15(16,17)18/h4-7,11-12,24H,8,19H2,1H3,(H,20,22)(H,21,23)/t11-,12+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372752 (CHEMBL272547) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C25H28N2O3/c28-22-16-21(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21,23H,2,5-6,9-10,15-16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372771 (CHEMBL404127) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CC(NC1=O)C1CCCCC1 Show InChI InChI=1S/C24H32N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h11-14,16,18,20,22H,1-10,15H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372766 (CHEMBL271482) Show SMILES O=C(NC1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C19H24N2O3/c22-16-12-15(11-13-7-3-1-4-8-13)21-19(24)17(16)18(23)20-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2,(H,20,23)(H,21,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372754 (CHEMBL272054) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@H](NC1=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469553 (CHEMBL4102769) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81.4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469552 (CHEMBL4072428) Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H]([C@@H](C)Nc1cccnc1)C(=O)NO |r| Show InChI InChI=1S/C24H26N4O3/c1-3-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23(29)27-22(24(30)28-31)16(2)26-21-5-4-14-25-15-21/h4-16,22,26,31H,3H2,1-2H3,(H,27,29)(H,28,30)/t16-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372751 (CHEMBL256222) Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C25H22N2O4/c28-22-16-19(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-18-11-13-21(14-12-18)31-20-9-5-2-6-10-20/h1-14,19,23H,15-16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372750 (CHEMBL272914) Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,22H,2,5-6,13-16H2,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469548 (CHEMBL4073216) Show SMILES C[C@@H](N)[C@H](NC(=O)[C@H]1CC[C@@H](CC1)C(C)(C)C)C(=O)NO |r,wU:7.6,3.17,1.0,wD:10.13,(50.54,-18.48,;51.87,-19.24,;53.2,-18.47,;51.88,-20.78,;50.55,-21.56,;49.21,-20.79,;49.21,-19.25,;47.88,-21.57,;47.89,-23.1,;46.55,-23.88,;45.22,-23.11,;45.21,-21.57,;46.55,-20.8,;43.88,-23.88,;42.55,-23.11,;43.88,-25.42,;42.54,-24.64,;53.22,-21.55,;53.22,-23.09,;54.55,-20.77,;55.88,-21.54,)| Show InChI InChI=1S/C15H29N3O3/c1-9(16)12(14(20)18-21)17-13(19)10-5-7-11(8-6-10)15(2,3)4/h9-12,21H,5-8,16H2,1-4H3,(H,17,19)(H,18,20)/t9-,10-,11-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372760 (CHEMBL257948) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C1C(=O)NC(CCc2ccccc2)C1=O Show InChI InChI=1S/C25H22N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15,21-22H,11,16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372767 (CHEMBL272913) Show SMILES FC(F)(F)c1ccc(NC(=O)C2C(=O)CC(Cc3ccccc3)NC2=O)cn1 Show InChI InChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,16H,8-9H2,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372762 (CHEMBL272162) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O Show InChI InChI=1S/C25H28N2O3/c28-23-21(16-11-17-7-3-1-4-8-17)27-25(30)22(23)24(29)26-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1,3-4,7-8,12-15,18,21-22H,2,5-6,9-11,16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372753 (CHEMBL271845) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372780 (CHEMBL404126) Show SMILES CC(C)CC1CC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C(=O)N1 Show InChI InChI=1S/C22H30N2O3/c1-14(2)12-18-13-19(25)20(22(27)24-18)21(26)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8-11,14-15,18,20H,3-7,12-13H2,1-2H3,(H,23,26)(H,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372753 (CHEMBL271845) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)C[C@@H](NC1=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O3/c27-21-15-20(18-9-5-2-6-10-18)26-24(29)22(21)23(28)25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16,20,22H,1,3-4,7-8,15H2,(H,25,28)(H,26,29)/t20-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469549 (CHEMBL4092311) Show SMILES C[C@@H](N)[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)C(=O)NO |r| Show InChI InChI=1S/C15H23N3O4/c1-9(16)12(14(20)18-21)17-13(19)10-5-7-11(8-6-10)22-15(2,3)4/h5-9,12,21H,16H2,1-4H3,(H,17,19)(H,18,20)/t9-,12+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372758 (CHEMBL269960) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CN(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15-16H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469551 (CHEMBL4064630) Show SMILES C[C@@H](N)[C@H](NC(=O)COc1ccc(cc1)N1CCCC1=O)C(=O)NO |r| Show InChI InChI=1S/C16H22N4O5/c1-10(17)15(16(23)19-24)18-13(21)9-25-12-6-4-11(5-7-12)20-8-2-3-14(20)22/h4-7,10,15,24H,2-3,8-9,17H2,1H3,(H,18,21)(H,19,23)/t10-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469561 (CHEMBL4065657) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@H](N)C1CC1)C(=O)NO |r| Show InChI InChI=1S/C17H21N3O4/c1-2-3-10-24-13-8-6-12(7-9-13)16(21)19-15(17(22)20-23)14(18)11-4-5-11/h6-9,11,14-15,23H,4-5,10,18H2,1H3,(H,19,21)(H,20,22)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372755 (CHEMBL255828) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)OC(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H25NO4/c26-22-20(15-16-7-3-1-4-8-16)29-24(28)21(22)23(27)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372768 (CHEMBL272696) Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C22H20N4O3/c27-19-13-17(12-15-4-2-1-3-5-15)25-22(29)20(19)21(28)24-16-6-8-18(9-7-16)26-11-10-23-14-26/h1-11,14,17,20H,12-13H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372759 (CHEMBL256476) Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1)C1C(=O)NC(CCc2ccccc2)C1=O Show InChI InChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469556 (CHEMBL4087085) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@@H]([C@H](N)C(C)C)C(=O)NO |r| Show InChI InChI=1S/C17H23N3O4/c1-4-5-10-24-13-8-6-12(7-9-13)16(21)19-15(17(22)20-23)14(18)11(2)3/h6-9,11,14-15,23H,10,18H2,1-3H3,(H,19,21)(H,20,22)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	899	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372772 (CHEMBL271293) Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)C1C(=O)OC(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H19NO4/c26-22-20(15-16-7-3-1-4-8-16)29-24(28)21(22)23(27)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20-21H,15H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372770 (CHEMBL256223) Show SMILES O=C(Nc1ccc(Nc2ccccc2)cc1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C25H23N3O3/c29-22-16-21(15-17-7-3-1-4-8-17)28-25(31)23(22)24(30)27-20-13-11-19(12-14-20)26-18-9-5-2-6-10-18/h1-14,21,23,26H,15-16H2,(H,27,30)(H,28,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372761 (CHEMBL272163) Show SMILES CC(C)CC1NC(=O)C(C(=O)Nc2ccc(cc2)C2CCCCC2)C1=O Show InChI InChI=1S/C21H28N2O3/c1-13(2)12-17-19(24)18(21(26)23-17)20(25)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,13-14,17-18H,3-7,12H2,1-2H3,(H,22,25)(H,23,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50469564 (CHEMBL4100062) Show SMILES C[C@@H](N)[C@H](NC(=O)c1ccc(cc1)N1CCOCC1)C(=O)NO |r| Show InChI InChI=1S/C15H22N4O4/c1-10(16)13(15(21)18-22)17-14(20)11-2-4-12(5-3-11)19-6-8-23-9-7-19/h2-5,10,13,22H,6-9,16H2,1H3,(H,17,20)(H,18,21)/t10-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa LpxC using UDP-3-O-(R-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 30 mins followed by sub...				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372778 (CHEMBL403226) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H26N2O3/c27-22-20(15-16-7-3-1-4-8-16)26-24(29)21(22)23(28)25-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372756 (CHEMBL404337) Show SMILES Clc1cc(Cl)cc(NC(=O)C2C(=O)OC(C2=O)c2ccccc2)c1 Show InChI InChI=1S/C17H11Cl2NO4/c18-10-6-11(19)8-12(7-10)20-16(22)13-14(21)15(24-17(13)23)9-4-2-1-3-5-9/h1-8,13,15H,(H,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372765 (CHEMBL256483) Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)NCC(CC2CCCCC2)C1=O Show InChI InChI=1S/C22H26N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h6-11,14-16,19H,1-5,12-13H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372774 (CHEMBL270170) Show SMILES Fc1ccc(NC(=O)C2C(=O)NC(CCc3ccccc3)C2=O)cc1 Show InChI InChI=1S/C19H17FN2O3/c20-13-7-9-14(10-8-13)21-18(24)16-17(23)15(22-19(16)25)11-6-12-4-2-1-3-5-12/h1-5,7-10,15-16H,6,11H2,(H,21,24)(H,22,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372763 (CHEMBL272377) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(C1=O)c1ccccc1 Show InChI InChI=1S/C23H24N2O3/c26-21-19(23(28)25-20(21)17-9-5-2-6-10-17)22(27)24-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-15,19-20H,1,3-4,7-8H2,(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372776 (CHEMBL428250) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)NC(Cc2ncc[nH]2)C1=O Show InChI InChI=1S/C21H24N4O3/c26-19-16(12-17-22-10-11-23-17)25-21(28)18(19)20(27)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16,18H,1-5,12H2,(H,22,23)(H,24,27)(H,25,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50372758 (CHEMBL269960) Show SMILES O=C(Nc1ccc(cc1)C1CCCCC1)C1C(=O)CN(Cc2ccccc2)C1=O Show InChI InChI=1S/C24H26N2O3/c27-21-16-26(15-17-7-3-1-4-8-17)24(29)22(21)23(28)25-20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15-16H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human FPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372769 (CHEMBL256017) Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)C1C(=O)CC(Cc2ccccc2)NC1=O Show InChI InChI=1S/C25H22N2O5S/c28-22-16-19(15-17-7-3-1-4-8-17)27-25(30)23(22)24(29)26-18-11-13-21(14-12-18)33(31,32)20-9-5-2-6-10-20/h1-14,19,23H,15-16H2,(H,26,29)(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372779 (CHEMBL271282) Show SMILES O=C(Nc1ccc(cc1)-n1ccnc1)C1C(=O)NCC(Cc2ccccc2)C1=O Show InChI InChI=1S/C22H20N4O3/c27-20-16(12-15-4-2-1-3-5-15)13-24-21(28)19(20)22(29)25-17-6-8-18(9-7-17)26-11-10-23-14-26/h1-11,14,16,19H,12-13H2,(H,24,28)(H,25,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372764 (CHEMBL272703) Show SMILES CCCCCCOc1ccc(NC(=O)C2C(=O)NC(Cc3ccccc3)C2=O)cc1 Show InChI InChI=1S/C24H28N2O4/c1-2-3-4-8-15-30-19-13-11-18(12-14-19)25-23(28)21-22(27)20(26-24(21)29)16-17-9-6-5-7-10-17/h5-7,9-14,20-21H,2-4,8,15-16H2,1H3,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Isoprenyl transferase (Streptococcus pneumoniae)	BDBM50372757 (CHEMBL256033) Show SMILES Clc1ccc(NC(=O)C2C(=O)OC(C2=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H12ClNO4/c18-11-6-8-12(9-7-11)19-16(21)13-14(20)15(23-17(13)22)10-4-2-1-3-5-10/h1-9,13,15H,(H,19,21)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae UPPS				Bioorg Med Chem Lett 18: 1840-4 (2008) Article DOI: 10.1016/j.bmcl.2008.02.009 BindingDB Entry DOI: 10.7270/Q2CF9QZ5
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50249583 (CHEMBL4097399) Show SMILES CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C16H21N3O4/c1-4-5-10-23-12-8-6-11(7-9-12)14(20)18-13(15(21)19-22)16(2,3)17/h6-9,13,22H,10,17H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human HDAC6				J Med Chem 60: 5002-5014 (2017) Article DOI: 10.1021/acs.jmedchem.7b00377 BindingDB Entry DOI: 10.7270/Q2FN18MZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 80 total )  |  Next  |  Last  >>

Jump to: