Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50033736   

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)	BDBM50350505 (CHEMBL1651180) Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN(CC)CC)c2ccccc2n1 Show InChI InChI=1S/C24H30N2O2/c1-4-16-27-20-13-11-19(12-14-20)23-18-24(28-17-15-26(5-2)6-3)21-9-7-8-10-22(21)25-23/h7-14,18H,4-6,15-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay				J Med Chem 54: 5722-36 (2011) Article DOI: 10.1021/jm200370y BindingDB Entry DOI: 10.7270/Q2NS0V8C
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay				J Med Chem 54: 5722-36 (2011) Article DOI: 10.1021/jm200370y BindingDB Entry DOI: 10.7270/Q2NS0V8C
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50017712 ((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...) Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay				J Med Chem 54: 5722-36 (2011) Article DOI: 10.1021/jm200370y BindingDB Entry DOI: 10.7270/Q2NS0V8C
					More data for this Ligand-Target Pair
Quinolone resistance protein NorA (Staphylococcus aureus)	BDBM50350506 (CHEMBL1651181) Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C25H30N2O2/c1-2-17-28-21-12-10-20(11-13-21)24-19-25(22-8-4-5-9-23(22)26-24)29-18-16-27-14-6-3-7-15-27/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Perugia Curated by ChEMBL					Assay Description Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay				J Med Chem 54: 5722-36 (2011) Article DOI: 10.1021/jm200370y BindingDB Entry DOI: 10.7270/Q2NS0V8C
					More data for this Ligand-Target Pair