Compile Data Set for Download or QSAR

Found 281 hits with Last Name = 'specklin' and Initial = 'jl'   

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
Peptide deformylase (Escherichia coli)	BDBM50089194 ((R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-...) Show SMILES CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO Show InChI InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50408913 (CHEMBL2092878) Show SMILES CCCC[C@@H](CC(=O)NO)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-12				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50089199 (3-(Naphthalene-2-sulfonyl)-heptanoic acid hydroxya...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO4S/c1-2-3-8-15(12-17(19)18-20)23(21,22)16-10-9-13-6-4-5-7-14(13)11-16/h4-7,9-11,15,20H,2-3,8,12H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089201 (3-(4-Acetylamino-benzenesulfonyl)-heptanoic acid h...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C15H22N2O5S/c1-3-4-5-14(10-15(19)17-20)23(21,22)13-8-6-12(7-9-13)16-11(2)18/h6-9,14,20H,3-5,10H2,1-2H3,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067069 (CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...) Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50089196 (3-Benzenesulfonyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-12				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067069 (CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...) Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50089199 (3-(Naphthalene-2-sulfonyl)-heptanoic acid hydroxya...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO4S/c1-2-3-8-15(12-17(19)18-20)23(21,22)16-10-9-13-6-4-5-7-14(13)11-16/h4-7,9-11,15,20H,2-3,8,12H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-12				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50089198 (3-Cyclohexanesulfonyl-heptanoic acid hydroxyamide ...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C13H25NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h11-12,16H,2-10H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-12				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067060 (CHEMBL128523 | Sodium; (1S,5R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C10H16N2O6S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50369525 (CHEMBL1788203) Show SMILES CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067070 (CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50089196 (3-Benzenesulfonyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089199 (3-(Naphthalene-2-sulfonyl)-heptanoic acid hydroxya...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO4S/c1-2-3-8-15(12-17(19)18-20)23(21,22)16-10-9-13-6-4-5-7-14(13)11-16/h4-7,9-11,15,20H,2-3,8,12H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067058 (CHEMBL338157 | Sodium; (1S,5R)-2-(3-carbamoyl-phen...) Show SMILES NC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-2-1-3-8(6-7)15-13(20)16-5-4-9-10(16)12(19)17(9)24(21,22)23/h1-3,6,9-10H,4-5H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067055 (CHEMBL338933 | Sodium; (1S,5R)-2-[2-(4-hydroxy-phe...) Show SMILES Oc1ccc(NCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H15N3O6S/c17-9-3-1-8(2-4-9)14-7-11(18)15-6-5-10-12(15)13(19)16(10)23(20,21)22/h1-4,10,12,14,17H,5-7H2,(H,20,21,22)/p-1/t10-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067069 (CHEMBL128220 | sodium salt-Sulfuric acid mono-[2-(...) Show SMILES NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O7S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24-25(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50408523 (CHEMBL2079714) Show SMILES [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1 Show InChI InChI=1S/C13H14N4O6S/c14-12(19)8-2-1-4-15(6-8)7-10(18)16-5-3-9-11(16)13(20)17(9)24(21,22)23/h1-2,4,6,9,11H,3,5,7H2,(H2-,14,19,21,22,23)/p-1/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067070 (CHEMBL355579 | sodium salt -tert-butyl 7-oxo-6-(su...) Show SMILES CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O Show InChI InChI=1S/C10H16N2O7S/c1-10(2,3)18-9(14)11-5-4-6-7(11)8(13)12(6)19-20(15,16)17/h6-7H,4-5H2,1-3H3,(H,15,16,17)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Pseudomonas aeruginosa 18 SH (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50067053 (CHEMBL127782 | Sodium; (1S,5R)-2-benzyloxycarbonyl...) Show SMILES NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H15N3O7S/c16-11(19)6-10-7-17(13-12(10)18(14(13)20)26(22,23)24)15(21)25-8-9-4-2-1-3-5-9/h1-6,12-13H,7-8H2,(H2,16,19)(H,22,23,24)/p-1/b10-6+/t12-,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089209 (3-(4-Methoxy-benzenesulfonyl)-heptanoic acid hydro...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C14H21NO5S/c1-3-4-5-13(10-14(16)15-17)21(18,19)12-8-6-11(20-2)7-9-12/h6-9,13,17H,3-5,10H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50067066 (CHEMBL340707 | Sodium; (1S,4R,5S)-2-benzyloxycarbo...) Show SMILES Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H16N6O6S2/c1-19-14(16-17-18-19)28-10-7-20(12-11(10)21(13(12)22)29(24,25)26)15(23)27-8-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,24,25,26)/p-1/t10-,11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089196 (3-Benzenesulfonyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067050 (CHEMBL336630 | Sodium; (1S,5R)-7-oxo-2-(piperidin-...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 Show InChI InChI=1S/C11H18N4O5S/c16-10-9-8(15(10)21(18,19)20)3-6-14(9)11(17)13-7-1-4-12-5-2-7/h7-9,12H,1-6H2,(H,13,17)(H,18,19,20)/p-1/t8-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50369525 (CHEMBL1788203) Show SMILES CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-12				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067051 (CHEMBL130187 | Sodium; (1S,5R)-7-oxo-2-(4-ureido-p...) Show SMILES NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1 Show InChI InChI=1S/C13H15N5O6S/c14-12(20)15-7-1-3-8(4-2-7)16-13(21)17-6-5-9-10(17)11(19)18(9)25(22,23)24/h1-4,9-10H,5-6H2,(H,16,21)(H3,14,15,20)(H,22,23,24)/p-1/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50067068 ((2S,5R)-2-(4-Carbamoyl-phenylcarbamoyl)-7-oxo-2,6-...) Show SMILES NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=O)N3S(O)(=O)=O)cc1 Show InChI InChI=1S/C13H14N4O6S/c14-11(18)7-1-3-8(4-2-7)15-13(20)16-6-5-9-10(16)12(19)17(9)24(21,22)23/h1-4,9-10H,5-6H2,(H2,14,18)(H,15,20)(H,21,22,23)/t9-,10?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of beta-lactamase of Citrobacter freundii 1982 (class C)				J Med Chem 41: 3972-5 (1998) Article DOI: 10.1021/jm9800245 BindingDB Entry DOI: 10.7270/Q2571CPG
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50089198 (3-Cyclohexanesulfonyl-heptanoic acid hydroxyamide ...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C13H25NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h11-12,16H,2-10H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067047 (CHEMBL341484 | Sodium; (1S,5R)-2-[2-(2,6-dimethyl-...) Show SMILES Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)nc1=O Show InChI InChI=1S/C12H15N5O6S2/c1-6-10(19)13-12(15(2)14-6)24-5-8(18)16-4-3-7-9(16)11(20)17(7)25(21,22)23/h7,9H,3-5H2,1-2H3,(H,21,22,23)/p-1/t7-,9+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089204 (3-(Naphthalene-2-sulfinyl)-heptanoic acid hydroxya...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO3S/c1-2-3-8-15(12-17(19)18-20)22(21)16-10-9-13-6-4-5-7-14(13)11-16/h4-7,9-11,15,20H,2-3,8,12H2,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50089199 (3-(Naphthalene-2-sulfonyl)-heptanoic acid hydroxya...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C17H21NO4S/c1-2-3-8-15(12-17(19)18-20)23(21,22)16-10-9-13-6-4-5-7-14(13)11-16/h4-7,9-11,15,20H,2-3,8,12H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50369525 (CHEMBL1788203) Show SMILES CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089217 (3-(3-Methoxy-benzenesulfonyl)-heptanoic acid hydro...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1cccc(OC)c1 Show InChI InChI=1S/C14H21NO5S/c1-3-4-7-13(10-14(16)15-17)21(18,19)12-8-5-6-11(9-12)20-2/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50076680 (CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...) Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Beta-lactamase from PSE-1				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067065 (CHEMBL130854 | Sodium; (1S,5R)-2-[2-amino-2-(4-hyd...) Show SMILES NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C13H15N3O6S/c14-10(7-1-3-8(17)4-2-7)12(18)15-6-5-9-11(15)13(19)16(9)23(20,21)22/h1-4,9-11,17H,5-6,14H2,(H,20,21,22)/p-1/t9-,10?,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089215 (3-(3-Methoxy-benzenesulfinyl)-heptanoic acid hydro...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1cccc(OC)c1 Show InChI InChI=1S/C14H21NO4S/c1-3-4-7-13(10-14(16)15-17)20(18)12-8-5-6-11(9-12)19-2/h5-6,8-9,13,17H,3-4,7,10H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089216 (3-Benzenesulfonyl-3-furan-2-yl-N-hydroxy-propionam...) Show SMILES ONC(=O)CC(c1ccco1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H13NO5S/c15-13(14-16)9-12(11-7-4-8-19-11)20(17,18)10-5-2-1-3-6-10/h1-8,12,16H,9H2,(H,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089210 (3-(4-Methoxy-benzenesulfinyl)-heptanoic acid hydro...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C14H21NO4S/c1-3-4-5-13(10-14(16)15-17)20(18)12-8-6-11(19-2)7-9-12/h6-9,13,17H,3-5,10H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM50076680 (CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...) Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Beta-lactamase from OXA-1				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Beta-lactamase OXA-1 (Escherichia coli (Enterobacteria))	BDBM50076680 (CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...) Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Beta-lactamase from OXA-1				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50089198 (3-Cyclohexanesulfonyl-heptanoic acid hydroxyamide ...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)C1CCCCC1 Show InChI InChI=1S/C13H25NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h11-12,16H,2-10H2,1H3,(H,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50089196 (3-Benzenesulfonyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO4S/c1-2-3-7-12(10-13(15)14-16)19(17,18)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067057 (CHEMBL340937 | Sodium; (1S,5R)-2-((E)-3-1H-imidazo...) Show SMILES [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)C=Cc1cnc[nH]1 |w:15.17| Show InChI InChI=1S/C11H12N4O5S/c16-9(2-1-7-5-12-6-13-7)14-4-3-8-10(14)11(17)15(8)21(18,19)20/h1-2,5-6,8,10H,3-4H2,(H,12,13)(H,18,19,20)/p-1/t8-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089200 (3-(4-Bromo-benzenesulfonyl)-heptanoic acid hydroxy...) Show SMILES CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C13H18BrNO4S/c1-2-3-4-12(9-13(16)15-17)20(18,19)11-7-5-10(14)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50076680 (CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...) Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Beta-lactamase from RTEM-3				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089212 (3-Benzenesulfonyl-octanoic acid hydroxyamide | CHE...) Show SMILES CCCCCC(CC(=O)NO)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C14H21NO4S/c1-2-3-5-10-13(11-14(16)15-17)20(18,19)12-8-6-4-7-9-12/h4,6-9,13,17H,2-3,5,10-11H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50067062 (CHEMBL415234 | Sodium; (1S,6R)-2-tert-butoxycarbon...) Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O Show InChI InChI=1S/C11H18N2O6S/c1-11(2,3)19-10(15)12-6-4-5-7-8(12)9(14)13(7)20(16,17)18/h7-8H,4-6H2,1-3H3,(H,16,17,18)/p-1/t7-,8+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of P. aeruginosa 18SH Beta-lactamase.				J Med Chem 41: 3961-71 (1998) Article DOI: 10.1021/jm980023c BindingDB Entry DOI: 10.7270/Q2HT2NF0
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 281 total )  |  Next  |  Last  >>

Jump to: