Compile Data Set for Download or QSAR

Found 479 hits with Last Name = 'hubschwerlen' and Initial = 'c'   

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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266345 (CHEMBL4094690) Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCN3CCOCC3)c2cn1)-c1ccncc1 Show InChI InChI=1S/C25H30N6O4/c1-2-27-24(32)30-23-15-21-20(18-5-7-26-8-6-18)4-3-19(22(21)17-28-23)16-29-25(33)35-14-11-31-9-12-34-13-10-31/h3-8,15,17H,2,9-14,16H2,1H3,(H,29,33)(H2,27,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266347 (CHEMBL4070524) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCO)c2cn1)-c1ccncc1 Show InChI InChI=1S/C21H23N5O4/c1-2-23-20(28)26-19-11-17-16(14-5-7-22-8-6-14)4-3-15(18(17)13-24-19)12-25-21(29)30-10-9-27/h3-8,11,13,27H,2,9-10,12H2,1H3,(H,25,29)(H2,23,24,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266348 (CHEMBL4064539) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC)c2cn1)-c1ccncc1 Show InChI InChI=1S/C20H21N5O3/c1-3-22-19(26)25-18-10-16-15(13-6-8-21-9-7-13)5-4-14(17(16)12-23-18)11-24-20(27)28-2/h4-10,12H,3,11H2,1-2H3,(H,24,27)(H2,22,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266393 (CHEMBL4099988) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC(C)C)c2cn1)-c1ccncc1 Show InChI InChI=1S/C22H25N5O3/c1-4-24-21(28)27-20-11-18-17(15-7-9-23-10-8-15)6-5-16(19(18)13-25-20)12-26-22(29)30-14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,29)(H2,24,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266374 (CHEMBL4099469) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)C3CC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H25N5O2/c1-3-24-23(30)28-21-11-19-18(16-8-9-25-14(2)10-16)7-6-17(20(19)13-26-21)12-27-22(29)15-4-5-15/h6-11,13,15H,3-5,12H2,1-2H3,(H,27,29)(H2,24,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266349 (CHEMBL4092234) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCNCC(C)(C)C)c2cn1)-c1ccncc1 Show InChI InChI=1S/C26H34N6O3/c1-5-29-24(33)32-23-14-21-20(18-8-10-27-11-9-18)7-6-19(22(21)16-30-23)15-31-25(34)35-13-12-28-17-26(2,3)4/h6-11,14,16,28H,5,12-13,15,17H2,1-4H3,(H,31,34)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266343 (CHEMBL4078126) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C21H23N5O3/c1-4-22-20(27)26-19-10-17-16(14-7-8-23-13(2)9-14)6-5-15(18(17)12-24-19)11-25-21(28)29-3/h5-10,12H,4,11H2,1-3H3,(H,25,28)(H2,22,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266344 (CHEMBL4061762) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCC#C)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H23N5O3/c1-4-10-31-23(30)27-13-17-6-7-18(16-8-9-25-15(3)11-16)19-12-21(26-14-20(17)19)28-22(29)24-5-2/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,27,30)(H2,24,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266351 (CHEMBL4096181) Show SMILES CCNC(=O)Nc1cc2c(ccc(Cn3ccnn3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C21H21N7O/c1-3-22-21(29)26-20-11-18-17(15-6-7-23-14(2)10-15)5-4-16(19(18)12-24-20)13-28-9-8-25-27-28/h4-12H,3,13H2,1-2H3,(H2,22,24,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266352 (CHEMBL4086015) Show SMILES CCNC(=O)Nc1cc2c(ccc(Cc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C26H24N4O3/c1-3-27-26(33)30-24-14-22-21(19-9-10-28-16(2)11-19)8-7-18(23(22)15-29-24)12-17-5-4-6-20(13-17)25(31)32/h4-11,13-15H,3,12H2,1-2H3,(H,31,32)(H2,27,29,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266355 (CHEMBL4066198) Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3cccc(c3)C(O)=O)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H23N5O3/c1-3-26-25(33)30-23-13-20-19(16-9-10-27-15(2)11-16)7-8-22(21(20)14-28-23)29-18-6-4-5-17(12-18)24(31)32/h4-14,29H,3H2,1-2H3,(H,31,32)(H2,26,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266342 (CHEMBL4101490) Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3ccc(C)nc3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C24H24N6O/c1-4-25-24(31)30-23-12-20-19(17-9-10-26-16(3)11-17)7-8-22(21(20)14-28-23)29-18-6-5-15(2)27-13-18/h5-14,29H,4H2,1-3H3,(H2,25,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266356 (CHEMBL4074808) Show SMILES CCNC(=O)Nc1cc2c(ccc(Nc3cccnc3)c2cn1)-c1ccncc1 Show InChI InChI=1S/C22H20N6O/c1-2-25-22(29)28-21-12-18-17(15-7-10-23-11-8-15)5-6-20(19(18)14-26-21)27-16-4-3-9-24-13-16/h3-14,27H,2H2,1H3,(H2,25,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266366 (CHEMBL4091200) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@H]3F)c2cn1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266367 (CHEMBL4071960) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N[C@@H]3CCNC[C@@H]3F)c2cn1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C25H29FN6O3/c1-3-28-24(33)32-23-11-19-18(16-6-9-29-15(2)10-16)5-4-17(20(19)12-30-23)14-35-25(34)31-22-7-8-27-13-21(22)26/h4-6,9-12,21-22,27H,3,7-8,13-14H2,1-2H3,(H,31,34)(H2,28,30,32,33)/t21-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266368 (CHEMBL4098937) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)NC3CCNCC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H30N6O3/c1-3-27-24(32)31-23-13-21-20(17-6-11-28-16(2)12-17)5-4-18(22(21)14-29-23)15-34-25(33)30-19-7-9-26-10-8-19/h4-6,11-14,19,26H,3,7-10,15H2,1-2H3,(H,30,33)(H2,27,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266369 (CHEMBL4087439) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(C)CC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H30N6O3/c1-4-26-24(32)29-23-14-21-20(18-7-8-27-17(2)13-18)6-5-19(22(21)15-28-23)16-34-25(33)31-11-9-30(3)10-12-31/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266370 (CHEMBL4081451) Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCNCC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C24H28N6O3/c1-3-26-23(31)29-22-13-20-19(17-6-7-27-16(2)12-17)5-4-18(21(20)14-28-22)15-33-24(32)30-10-8-25-9-11-30/h4-7,12-14,25H,3,8-11,15H2,1-2H3,(H2,26,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266375 (CHEMBL4100423) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(C)=O)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C21H23N5O2/c1-4-22-21(28)26-20-10-18-17(15-7-8-23-13(2)9-15)6-5-16(11-24-14(3)27)19(18)12-25-20/h5-10,12H,4,11H2,1-3H3,(H,24,27)(H2,22,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266378 (CHEMBL4066059) Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(CC4CC4)CC3)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C28H34N6O3/c1-3-29-27(35)32-26-15-24-23(21-8-9-30-19(2)14-21)7-6-22(25(24)16-31-26)18-37-28(36)34-12-10-33(11-13-34)17-20-4-5-20/h6-9,14-16,20H,3-5,10-13,17-18H2,1-2H3,(H2,29,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266379 (CHEMBL4083966) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)CCOC)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H27N5O3/c1-4-24-23(30)28-21-12-19-18(16-7-9-25-15(2)11-16)6-5-17(20(19)14-26-21)13-27-22(29)8-10-31-3/h5-7,9,11-12,14H,4,8,10,13H2,1-3H3,(H,27,29)(H2,24,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266394 (CHEMBL4070393) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCOC)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C23H27N5O4/c1-4-24-22(29)28-21-12-19-18(16-7-8-25-15(2)11-16)6-5-17(20(19)14-26-21)13-27-23(30)32-10-9-31-3/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,27,30)(H2,24,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50266350 (CHEMBL4091332) Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1)-c1ccnc(C)c1 Show InChI InChI=1S/C25H28F2N6O3/c1-3-29-23(34)33-22-11-19-18(16-6-9-30-15(2)10-16)5-4-17(20(19)13-31-22)12-32-24(35)36-21-7-8-28-14-25(21,26)27/h4-6,9-11,13,21,28H,3,7-8,12,14H2,1-2H3,(H,32,35)(H2,29,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...				J Med Chem 60: 3755-3775 (2017) Article DOI: 10.1021/acs.jmedchem.6b01834 BindingDB Entry DOI: 10.7270/Q2SQ92VF
					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
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
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
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
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
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
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

Displayed 1 to 50 (of 479 total )  |  Next  |  Last  >>

Jump to: