Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'locher' and Initial = 'h'   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128532 (5-(7-Chloro-10-methylsulfanyl-3,4-dihydro-1H-pyraz...) Show SMILES CSc1c2CN(Cc3cnc(N)nc3N)CCn2c2cc(Cl)ccc12 Show InChI InChI=1S/C17H19ClN6S/c1-25-15-12-3-2-11(18)6-13(12)24-5-4-23(9-14(15)24)8-10-7-21-17(20)22-16(10)19/h2-3,6-7H,4-5,8-9H2,1H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128535 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m1/s1	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	2.80	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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128534 (5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21 Show InChI InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128540 (5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-py...) Show SMILES Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 Show InChI InChI=1S/C16H18N6/c17-15-10(7-19-16(18)21-15)8-22-6-5-12-11-3-1-2-4-13(11)20-14(12)9-22/h1-4,7,20H,5-6,8-9H2,(H4,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
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)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128538 (5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-iso...) Show SMILES COc1ccc2C(CN(Cc3cnc(N)nc3N)Cc2c1)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N6O3/c1-30-17-5-6-18-14(8-17)10-26(11-15-9-24-21(23)25-20(15)22)12-19(18)13-3-2-4-16(7-13)27(28)29/h2-9,19H,10-12H2,1H3,(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article 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 Antibacterial activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128533 (5-[4-(2,4-Dichloro-phenyl)-6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CN(Cc3cnc(N)nc3N)CC(c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C22H23Cl2N5O2/c1-30-19-5-12-9-29(10-13-8-27-22(26)28-21(13)25)11-17(16(12)7-20(19)31-2)15-4-3-14(23)6-18(15)24/h3-8,17H,9-11H2,1-2H3,(H4,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128535 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m1/s1	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	9.80	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128534 (5-(4,11-Dimethyl-1,2,4,11-tetrahydro-pyrido[4,3-a]...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCc2c1ccc1c3ccccc3n(C)c21 Show InChI InChI=1S/C22H24N6/c1-13-15-7-8-17-16-5-3-4-6-19(16)27(2)20(17)18(15)9-10-28(13)12-14-11-25-22(24)26-21(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H4,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity of TMP-susceptible Dihydrofolate reductase against Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128536 (5-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylme...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)Cc2cc1OC Show InChI InChI=1S/C16H21N5O2/c1-22-13-5-10-3-4-21(8-11(10)6-14(13)23-2)9-12-7-19-16(18)20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H4,17,18,19,20)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128537 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)C(C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128529 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m0/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128537 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)C(C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)	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	24	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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB 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 Antibacterial activity of the compound against TMP-Resistant Dihydrofolate reductase from Staphylococcus aureus 157/4696				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128529 (5-(4-Methoxy-9-methyl-6,9-dihydro-7H-[1,3]dioxolo[...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)[C@@H](C)c2c2OCOc12 Show InChI InChI=1S/C17H21N5O3/c1-9-13-10(5-12(23-2)14-15(13)25-8-24-14)3-4-22(9)7-11-6-20-17(19)21-16(11)18/h5-6,9H,3-4,7-8H2,1-2H3,(H4,18,19,20,21)/t9-/m0/s1	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	29	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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50395398 (CHEMBL2165064) Show SMILES F[C@@H]1CN(CCn2c3cc(ccc3ccc2=O)C#N)CC[C@@H]1NCc1cc2OCCOc2cn1 |r| Show InChI InChI=1S/C25H26FN5O3/c26-20-16-30(7-8-31-22-11-17(13-27)1-2-18(22)3-4-25(31)32)6-5-21(20)29-14-19-12-23-24(15-28-19)34-10-9-33-23/h1-4,11-12,15,20-21,29H,5-10,14,16H2/t20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440321 (CHEMBL2424893) Show SMILES COc1ccc2nccc(NC(=O)[C@H]3CC[C@@H](CC3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r,wU:13.12,wD:16.19,(6.06,-13.06,;7.4,-13.83,;7.4,-15.37,;6.08,-16.14,;6.09,-17.67,;7.41,-18.43,;7.41,-19.97,;8.74,-20.74,;10.08,-19.97,;10.07,-18.42,;11.4,-17.64,;12.74,-18.41,;12.75,-19.95,;14.07,-17.63,;14.06,-16.09,;15.39,-15.32,;16.73,-16.09,;16.73,-17.63,;15.4,-18.4,;18.06,-15.32,;19.4,-16.08,;20.73,-15.31,;20.72,-13.78,;22.05,-13.01,;23.39,-13.77,;24.72,-13,;26.05,-13.78,;26.05,-15.32,;27.38,-16.09,;24.72,-16.08,;23.39,-15.32,;22.06,-16.09,;8.74,-17.66,;8.73,-16.13,)| Show InChI InChI=1S/C24H26N6O3S/c1-33-21-9-7-17-22(30-21)18(10-11-25-17)28-24(32)14-2-4-15(5-3-14)26-12-16-6-8-19-23(27-16)29-20(31)13-34-19/h6-11,14-15,26H,2-5,12-13H2,1H3,(H,25,28,32)(H,27,29,31)/t14-,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440327 (CHEMBL2424883) Show SMILES COc1ccc2nccc(CC[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O3S/c1-31-22-9-7-19-23(29-22)15(10-11-25-19)2-5-18-6-3-17(13-32-18)26-12-16-4-8-20-24(27-16)28-21(30)14-33-20/h4,7-11,17-18,26H,2-3,5-6,12-14H2,1H3,(H,27,28,30)/t17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440326 (CHEMBL2424886) Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H28N4O6/c1-31-21-5-3-17-22(28-21)16(6-7-25-17)23(29)24(30)18-4-2-14(13-34-18)26-11-15-10-19-20(12-27-15)33-9-8-32-19/h3,5-7,10,12,14,18,23-24,26,29-30H,2,4,8-9,11,13H2,1H3/t14-,18+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440309 (CHEMBL2424889) Show SMILES COc1ccc2nccc([C@H](O)[C@@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440325 (CHEMBL2424890) Show SMILES COc1ccc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C25H28N4O5S/c1-33-21-10-5-14-3-2-4-17(22(14)29-21)23(31)24(32)18-8-6-16(12-34-18)26-11-15-7-9-19-25(27-15)28-20(30)13-35-19/h2-5,7,9-10,16,18,23-24,26,31-32H,6,8,11-13H2,1H3,(H,27,28,30)/t16-,18+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440324 (CHEMBL2424892) Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-9-27-15-5-4-14(25)20(21(15)30-19)23(33)22(32)16-6-2-13(10-35-16)26-8-12-3-7-17-24(28-12)29-18(31)11-36-17/h3-5,7,9,13,16,22-23,26,32-33H,2,6,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440323 (CHEMBL2424833) Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H26FN5O5S/c1-34-19-7-4-15-21(30-19)20(14(25)9-27-15)23(33)22(32)16-5-2-13(10-35-16)26-8-12-3-6-17-24(28-12)29-18(31)11-36-17/h3-4,6-7,9,13,16,22-23,26,32-33H,2,5,8,10-11H2,1H3,(H,28,29,31)/t13-,16+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440322 (CHEMBL2424836) Show SMILES COc1cnc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| Show InChI InChI=1S/C24H27N5O5S/c1-33-20-10-26-16-4-2-3-15(21(16)29-20)22(31)23(32)17-7-5-14(11-34-17)25-9-13-6-8-18-24(27-13)28-19(30)12-35-18/h2-4,6,8,10,14,17,22-23,25,31-32H,5,7,9,11-12H2,1H3,(H,27,28,30)/t14-,17+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440304 (CHEMBL2424874) Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-34-17)26-9-14-8-19-18(10-27-14)33-6-7-35-19/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440303 (CHEMBL2424876) Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4OCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H27FN4O6/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-35-17)26-9-14-8-18-19(11-27-14)34-7-6-33-18/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50440302 (CHEMBL2424877) Show SMILES COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r| Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-5-3-16-22(29-20)21(15(25)10-28-16)24(31)23(30)17-4-2-13(12-34-17)26-9-14-8-19-18(11-27-14)33-6-7-35-19/h3,5,8,10-11,13,17,23-24,26,30-31H,2,4,6-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr				J Med Chem 56: 7396-415 (2013) Article DOI: 10.1021/jm400963y BindingDB Entry DOI: 10.7270/Q2HT2QRV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128532 (5-(7-Chloro-10-methylsulfanyl-3,4-dihydro-1H-pyraz...) Show SMILES CSc1c2CN(Cc3cnc(N)nc3N)CCn2c2cc(Cl)ccc12 Show InChI InChI=1S/C17H19ClN6S/c1-25-15-12-3-2-11(18)6-13(12)24-5-4-23(9-14(15)24)8-10-7-21-17(20)22-16(10)19/h2-3,6-7H,4-5,8-9H2,1H3,(H4,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128533 (5-[4-(2,4-Dichloro-phenyl)-6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CN(Cc3cnc(N)nc3N)CC(c3ccc(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C22H23Cl2N5O2/c1-30-19-5-12-9-29(10-13-8-27-22(26)28-21(13)25)11-17(16(12)7-20(19)31-2)15-4-3-14(23)6-18(15)24/h3-8,17H,9-11H2,1-2H3,(H4,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
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
Dihydrofolate reductase (Staphylococcus aureus (strain MW2))	BDBM50128531 (5-(7-Benzyl-1-methyl-6-phenyl-3,4-dihydro-1H-pyrro...) Show SMILES CC1N(Cc2cnc(N)nc2N)CCn2c1cc(Cc1ccccc1)c2-c1ccccc1 Show InChI InChI=1S/C26H28N6/c1-18-23-15-21(14-19-8-4-2-5-9-19)24(20-10-6-3-7-11-20)32(23)13-12-31(18)17-22-16-29-26(28)30-25(22)27/h2-11,15-16,18H,12-14,17H2,1H3,(H4,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article 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 Inhibitory activity against TMP-Resistance Dihydrofolate reductase from Staphylococcus aureus 157/4696				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128530 (5-(6,7-Dimethoxy-1-methyl-3,4-dihydro-1H-isoquinol...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)C(C)c2cc1OC Show InChI InChI=1S/C17H23N5O2/c1-10-13-7-15(24-3)14(23-2)6-11(13)4-5-22(10)9-12-8-20-17(19)21-16(12)18/h6-8,10H,4-5,9H2,1-3H3,(H4,18,19,20,21)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antibacterial activity of the compound against TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128540 (5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-py...) Show SMILES Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 Show InChI InChI=1S/C16H18N6/c17-15-10(7-19-16(18)21-15)8-22-6-5-12-11-3-1-2-4-13(11)20-14(12)9-22/h1-4,7,20H,5-6,8-9H2,(H4,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100105 (2-(5-Bromo-2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-N...) Show SMILES ONC(=O)CN1Cc2c(Br)cccc2NC1=O Show InChI InChI=1S/C10H10BrN3O3/c11-7-2-1-3-8-6(7)4-14(10(16)12-8)5-9(15)13-17/h1-3,17H,4-5H2,(H,12,16)(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128530 (5-(6,7-Dimethoxy-1-methyl-3,4-dihydro-1H-isoquinol...) Show SMILES COc1cc2CCN(Cc3cnc(N)nc3N)C(C)c2cc1OC Show InChI InChI=1S/C17H23N5O2/c1-10-13-7-15(24-3)14(23-2)6-11(13)4-5-22(10)9-12-8-20-17(19)21-16(12)18/h6-8,10H,4-5,9H2,1-3H3,(H4,18,19,20,21)	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	53	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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50128538 (5-[7-Methoxy-4-(3-nitro-phenyl)-3,4-dihydro-1H-iso...) Show SMILES COc1ccc2C(CN(Cc3cnc(N)nc3N)Cc2c1)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H22N6O3/c1-30-17-5-6-18-14(8-17)10-26(11-15-9-24-21(23)25-20(15)22)12-19(18)13-3-2-4-16(7-13)27(28)29/h2-9,19H,10-12H2,1H3,(H4,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	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 TMP-susceptible Dihydrofolate reductase from Staphylococcus pneumoniae ATCC 49619				J Med Chem 46: 2304-12 (2003) Article DOI: 10.1021/jm020495y BindingDB Entry DOI: 10.7270/Q2J38RXV
					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
Peptide deformylase (Escherichia coli (strain K12))	BDBM50100101 (2-(5-Bromo-1-cyclopropylmethyl-2,2-dioxo-1,4-dihyd...) Show SMILES ONC(=O)CN1Cc2c(Br)cccc2N(CC2CC2)S1(=O)=O Show InChI InChI=1S/C13H16BrN3O4S/c14-11-2-1-3-12-10(11)7-16(8-13(18)15-19)22(20,21)17(12)6-9-4-5-9/h1-3,9,19H,4-8H2,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of the isolated native E. coli peptide deformylase (PDF)				J Med Chem 44: 1847-52 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1K6C
					More data for this Ligand-Target Pair

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