Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50048280   

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
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50211232 (CHEMBL3929187) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12 Show InChI InChI=1S/C37H38N6O5/c1-4-46-36(44)35-26(2)42(25-27-12-7-5-8-13-27)32-18-17-30(23-31(32)35)47-21-11-20-38-24-28-16-19-33(34(22-28)45-3)48-37-39-40-41-43(37)29-14-9-6-10-15-29/h5-10,12-19,22-23,38H,4,11,20-21,24-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50211228 (CHEMBL3956740) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12 Show InChI InChI=1S/C38H40N6O5/c1-4-47-37(45)36-27(2)43(26-28-13-7-5-8-14-28)33-19-18-31(24-32(33)36)48-22-12-11-21-39-25-29-17-20-34(35(23-29)46-3)49-38-40-41-42-44(38)30-15-9-6-10-16-30/h5-10,13-20,23-24,39H,4,11-12,21-22,25-26H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50211230 (CHEMBL3948087) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(F)c(OC)c3)cc12 Show InChI InChI=1S/C30H33FN2O4/c1-4-36-30(34)29-21(2)33(20-22-9-6-5-7-10-22)27-14-12-24(18-25(27)29)37-16-8-15-32-19-23-11-13-26(31)28(17-23)35-3/h5-7,9-14,17-18,32H,4,8,15-16,19-20H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50211229 (CHEMBL3955315) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12 Show InChI InChI=1S/C37H38N6O6/c1-4-47-36(45)35-25(2)42(23-26-11-7-5-8-12-26)32-17-16-30(20-31(32)35)48-24-29(44)22-38-21-27-15-18-33(34(19-27)46-3)49-37-39-40-41-43(37)28-13-9-6-10-14-28/h5-20,29,38,44H,4,21-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50153278 (CHEMBL3775105) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCC3)cc12 Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-21(2)29(20-22-11-6-4-7-12-22)25-14-13-23(19-24(25)26)32-18-10-17-28-15-8-5-9-16-28/h4,6-7,11-14,19H,3,5,8-10,15-18,20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50153282 (CHEMBL3775841) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN)cc12 Show InChI InChI=1S/C22H26N2O3/c1-3-26-22(25)21-16(2)24(15-17-8-5-4-6-9-17)20-11-10-18(14-19(20)21)27-13-7-12-23/h4-6,8-11,14H,3,7,12-13,15,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50153287 (CHEMBL3775507) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN)cc12 Show InChI InChI=1S/C22H26N2O4/c1-3-27-22(26)21-15(2)24(13-16-7-5-4-6-8-16)20-10-9-18(11-19(20)21)28-14-17(25)12-23/h4-11,17,25H,3,12-14,23H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50211231 (CHEMBL3945575) Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCC(O)COc3ccc4n(Cc5ccccc5)c(C)c(C(=O)OCC)c4c3)cc12 Show InChI InChI=1S/C44H49N3O8/c1-5-52-43(50)41-29(3)46(25-31-13-9-7-10-14-31)39-19-17-35(21-37(39)41)54-27-33(48)23-45-24-34(49)28-55-36-18-20-40-38(22-36)42(44(51)53-6-2)30(4)47(40)26-32-15-11-8-12-16-32/h7-22,33-34,45,48-49H,5-6,23-28H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method				J Med Chem 60: 517-523 (2017) Article DOI: 10.1021/acs.jmedchem.6b01281 BindingDB Entry DOI: 10.7270/Q2D79DKR
					More data for this Ligand-Target Pair