Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50004133   

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
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50476068 (CHEMBL219534) Show SMILES COc1c(c(F)cc2c1n(C1CC1)c1s[nH]c(=O)c1c2=O)-c1ccnc(C)c1 Show InChI InChI=1S/C20H16FN3O3S/c1-9-7-10(5-6-22-9)14-13(21)8-12-16(18(14)27-2)24(11-3-4-11)20-15(17(12)25)19(26)23-28-20/h5-8,11H,3-4H2,1-2H3,(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled ...				Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50476065 (CHEMBL220656) Show SMILES COc1c(c(F)cc2c1n(C1CC1)c1s[nH]c(=O)c1c2=O)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C21H18FN3O3S/c1-9-6-11(7-10(2)23-9)15-14(22)8-13-17(19(15)28-3)25(12-4-5-12)21-16(18(13)26)20(27)24-29-21/h6-8,12H,4-5H2,1-3H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled ...				Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) Show SMILES CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled ...				Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM50366824 (Avelox | MOXIFLOXACIN | Moxifl-oxacin) Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r| Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled ...				Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM21690 (1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...) Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Achillion Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled ...				Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)