Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'fierke' and Initial = 'ca'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM423466 (WO2006061714, P39.1 | WO2006061714-ID-11 | cmdc.20...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442754 (MPI4) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C29H36N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h3-12,17,19,22-25H,13-16,18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420296 (Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...) Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	30	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM419133 (BDBM429386 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	30	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442755 (MPI5) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C29H42N4O6/c1-19(2)25(33-29(38)39-18-21-11-7-4-8-12-21)28(37)32-24(15-20-9-5-3-6-10-20)27(36)31-23(17-34)16-22-13-14-30-26(22)35/h4,7-8,11-12,17,19-20,22-25H,3,5-6,9-10,13-16,18H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t22-,23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442792 (MPI7) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H42N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,19,21,24-27H,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442794 (MPI9) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)\C=C\c1ccc(Cl)cc1F)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C27H36ClFN4O5/c1-15(2)11-22(26(37)31-20(14-34)12-18-9-10-30-25(18)36)32-27(38)24(16(3)4)33-23(35)8-6-17-5-7-19(28)13-21(17)29/h5-8,13-16,18,20,22,24H,9-12H2,1-4H3,(H,30,36)(H,31,37)(H,32,38)(H,33,35)/b8-6+/t18-,20-,22-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442762 (MPI6) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C29H44N4O7/c1-18(2)14-23(26(36)31-22(16-34)15-21-12-13-30-25(21)35)32-27(37)24(19(3)40-29(4,5)6)33-28(38)39-17-20-10-8-7-9-11-20/h7-11,16,18-19,21-24H,12-15,17H2,1-6H3,(H,30,35)(H,31,36)(H,32,37)(H,33,38)/t19?,21-,22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM442746 (MPI1) Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C24H27N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,15,19-21H,11-14,16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	98	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM429372 (MPI2 | med.21724, Compound 43) Show SMILES Fc1cc(Cl)ccc1\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C25H25ClFN3O4/c26-19-8-6-17(21(27)14-19)7-9-23(32)30-22(12-16-4-2-1-3-5-16)25(34)29-20(15-31)13-18-10-11-28-24(18)33/h1-9,14-15,18,20,22H,10-13H2,(H,28,33)(H,29,34)(H,30,32)/b9-7+/t18-,20-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM429100 (MPI8 | jm5b01461, Compound 45) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	103	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
Texas A&M University					Assay Description The assays were carried out with 20 nM enzyme (except for MPI3, for which 10 nM enzyme was used) and 10 μM substrate at 37oC with continuous sha...				ChemMedChem (2020) Article DOI: 10.1002/cmdc.202000924 BindingDB Entry DOI: 10.7270/Q2G163V1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Binding affinity to human Zn2+-HDAC8 assessed as loss of activity by Fluor-de-Lys activity assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Reversible-time dependent inhibition of human wild type HDAC8 by Fluor-de-Lys activity assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using MAZ1675 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50074938 ((R)-2-(4-Methoxy-phenyl)-4,5-dihydro-oxazole-4-car...) Show SMILES COc1ccc(cc1)C1=N[C@H](CO1)C(=O)NO |t:9| Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(6-17-11)10(14)13-15/h2-5,9,15H,6H2,1H3,(H,13,14)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50089657 (CHEMBL3577298) Show SMILES CC1=C(C)C(=O)C(CONC(=O)CCCCCCC(=O)Nc2ccccc2)=C(C)C1=O |c:1,t:27| Show InChI InChI=1S/C24H30N2O5/c1-16-17(2)24(30)20(18(3)23(16)29)15-31-26-22(28)14-10-5-4-9-13-21(27)25-19-11-7-6-8-12-19/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using MAZ1675 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118596 ((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...) Show SMILES COc1ccc(cc1)-c1cc(on1)P(O)(O)O Show InChI InChI=1S/C10H12NO5P/c1-15-8-4-2-7(3-5-8)9-6-10(16-11-9)17(12,13)14/h2-6,12-14,17H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50409600 (CHEMBL2111931) Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)C(=O)NO |r,t:9| Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)9-6-10(17-13-9)11(14)12-15/h2-5,10,15H,6H2,1H3,(H,12,14)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50089658 (CHEMBL3577299) Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50089658 (CHEMBL3577299) Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50089658 (CHEMBL3577299) Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50089658 (CHEMBL3577299) Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using MAZ1675 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50089658 (CHEMBL3577299) Show SMILES O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1 Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-4-8-14-19)15-9-1-2-10-16-21(25)23-26-17-18-11-5-3-6-12-18/h3-8,11-14H,1-2,9-10,15-17H2,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using MAZ1600 as fluorogenic substrate measured every 5 mins by optimized homogenous fluorescence based assay				J Med Chem 58: 4812-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00539 BindingDB Entry DOI: 10.7270/Q2HH6MTX
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118597 ((R/S)-Thioacetic acid S-{2-[3-(4-methoxy-phenyl)-4...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)CSC(C)=O |t:9| Show InChI InChI=1S/C14H15NO4S/c1-9(16)20-8-13(17)14-7-12(15-19-14)10-3-5-11(18-2)6-4-10/h3-6,14H,7-8H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118582 ((R)3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5-ca...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NO |t:9| Show InChI InChI=1S/C11H12N2O4/c1-16-8-4-2-7(3-5-8)9-6-10(17-13-9)11(14)12-15/h2-5,10,15H,6H2,1H3,(H,12,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118590 ((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...) Show SMILES COc1ccc(cc1)C1=NOC(CS)C1 |t:9| Show InChI InChI=1S/C11H13NO2S/c1-13-9-4-2-8(3-5-9)11-6-10(7-15)14-12-11/h2-5,10,15H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118594 ((R/S)-2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dihyd...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)CS |t:9| Show InChI InChI=1S/C12H13NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,12,17H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118584 ((R/S)-[3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazol-5...) Show SMILES COc1ccc(cc1)-c1cc(on1)P(C)(O)O Show InChI InChI=1S/C11H14NO4P/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-7,13-14,17H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118581 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccccn1 |t:9| Show InChI InChI=1S/C16H15N3O3/c1-21-12-7-5-11(6-8-12)13-10-14(22-19-13)16(20)18-15-4-2-3-9-17-15/h2-9,14H,10H2,1H3,(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>3.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118595 ((R/S)-5-Methanesulfonyl-3-(4-methoxy-phenyl)-4,5-d...) Show SMILES COc1ccc(cc1)C1=NOC(C1)S(C)(=O)=O |t:9| Show InChI InChI=1S/C11H13NO4S/c1-15-9-5-3-8(4-6-9)10-7-11(16-12-10)17(2,13)14/h3-6,11H,7H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118587 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1nccs1 |t:9| Show InChI InChI=1S/C14H13N3O3S/c1-19-10-4-2-9(3-5-10)11-8-12(20-17-11)13(18)16-14-15-6-7-21-14/h2-7,12H,8H2,1H3,(H,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>3.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118585 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NNC=O |t:9| Show InChI InChI=1S/C12H13N3O4/c1-18-9-4-2-8(3-5-9)10-6-11(19-15-10)12(17)14-13-7-16/h2-5,7,11H,6H2,1H3,(H,13,16)(H,14,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118593 ((R*,R*)2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dihy...) Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)[C@H](O)CS |t:9| Show InChI InChI=1S/C12H15NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,11-12,14,17H,6-7H2,1H3/t11-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118586 ((R*,S*)-2-Mercapto-1-[3-(4-methoxy-phenyl)-4,5-dih...) Show SMILES COc1ccc(cc1)C1=NO[C@H](C1)[C@@H](O)CS |t:9| Show InChI InChI=1S/C12H15NO3S/c1-15-9-4-2-8(3-5-9)10-6-12(16-13-10)11(14)7-17/h2-5,11-12,14,17H,6-7H2,1H3/t11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118583 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NCO |t:9| Show InChI InChI=1S/C12H14N2O4/c1-17-9-4-2-8(3-5-9)10-6-11(18-14-10)12(16)13-7-15/h2-5,11,15H,6-7H2,1H3,(H,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118592 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(=O)NN |t:9| Show InChI InChI=1S/C11H13N3O3/c1-16-8-4-2-7(3-5-8)9-6-10(17-14-9)11(15)13-12/h2-5,10H,6,12H2,1H3,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118591 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)C(O)=O |t:9| Show InChI InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50118580 ((R/S)-3-(4-Methoxy-phenyl)-4,5-dihydro-isoxazole-5...) Show SMILES COc1ccc(cc1)C1=NOC(C1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C10H12N2O4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-5,10H,6H2,1H3,(H2,11,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of E. coli LpxC(UDP-3-O-[R-3-hydroxymyristoyl]-GlcNAc deacetylase.				J Med Chem 45: 4359-70 (2002) BindingDB Entry DOI: 10.7270/Q2W66K3D
					More data for this Ligand-Target Pair