Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50000409   

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
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
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
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
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
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
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
Histone deacetylase 3 (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 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 HDAC3				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
Histone deacetylase 1 (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 HDAC1				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
Histone deacetylase 2 (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 HDAC2				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
Polyamine deacetylase HDAC10 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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 HDAC10				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
Histone deacetylase 7 (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 HDAC7				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
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
Histone deacetylase 5 (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	KEGG UniProtKB/SwissProt 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 HDAC5				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
Histone deacetylase 8 (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 HDAC8				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
Histone deacetylase 11 (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt 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 HDAC11				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
Histone deacetylase 9 (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	Reactome pathway KEGG UniProtKB/SwissProt 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 HDAC9				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
Histone deacetylase 4 (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 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 HDAC4				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