Compile Data Set for Download or QSAR

Found 14 hits of ec50 for UniProtKB: P03471   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474367 ((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...) Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O |r| Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474368 ((S)-6-(bis(4-fluorophenyl)methyl)-3-bromo- 11-hydr...) Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)n2ncc1=O |r| Show InChI InChI=1S/C22H15BrF2N4O2/c23-18-10-26-22-20-21(31)17(30)9-27-29(20)16(11-28(18)22)19(12-1-5-14(24)6-2-12)13-3-7-15(25)8-4-13/h1-10,16,19,31H,11H2/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	840	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474379 (6-benzhydryl-11-hydroxy-6H,10H- spiro[imidazo[1,2-...) Show SMILES Oc1c2-c3nccn3C3(COC3)N(C(c3ccccc3)c3ccccc3)n2ccc1=O Show InChI InChI=1S/C24H20N4O3/c29-19-11-13-27-21(22(19)30)23-25-12-14-26(23)24(15-31-16-24)28(27)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,30H,15-16H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474370 ((S)-6-benzhydryl-11-hydroxy-3- (trifluoromethyl)-5...) Show SMILES Oc1c2-c3ncc(n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18F3N3O2/c25-24(26,27)19-13-28-23-21-22(32)18(31)11-12-29(21)17(14-30(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,32H,14H2/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474380 (5-benzhydryl-10-hydroxy-3-methyl-4,5- dihydroimida...) Show SMILES Cn1cnc-2c1CN(C(c1ccccc1)c1ccccc1)n1ccc(=O)c(O)c-21 Show InChI InChI=1S/C23H20N4O2/c1-25-15-24-20-18(25)14-27(26-13-12-19(28)23(29)22(20)26)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,21,29H,14H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474374 ((S)-6-benzhydryl-3-((dimethylamino)methyl)- 11-hyd...) Show SMILES CN(C)Cc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26N4O2/c1-28(2)16-20-15-27-26-24-25(32)22(31)13-14-29(24)21(17-30(20)26)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21,23,32H,16-17H2,1-2H3/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474369 ((S)-6-benzhydryl-11-hydroxy-3- (hydroxymethyl)-5,6...) Show SMILES OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H21N3O3/c28-15-18-13-25-24-22-23(30)20(29)11-12-26(22)19(14-27(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19,21,28,30H,14-15H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474371 ((S)-6-benzhydryl-11-hydroxy-10-oxo-5,6- dihydro-10...) Show SMILES Oc1c2-c3ncc(C#N)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C24H18N4O2/c25-13-18-14-26-24-22-23(30)20(29)11-12-27(22)19(15-28(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,19,21,30H,15H2/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474372 ((S)-6-benzhydryl-11-hydroxy-3- ((methylamino)methy...) Show SMILES CNCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H24N4O2/c1-26-14-19-15-27-25-23-24(31)21(30)12-13-28(23)20(16-29(19)25)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20,22,26,31H,14,16H2,1H3/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474373 ((S)-6-benzhydryl-3- ((cyclohexylamino)methyl)-11-h...) Show SMILES Oc1c2-c3ncc(CNC4CCCCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C30H32N4O2/c35-26-16-17-33-25(27(21-10-4-1-5-11-21)22-12-6-2-7-13-22)20-34-24(18-31-23-14-8-3-9-15-23)19-32-30(34)28(33)29(26)36/h1-2,4-7,10-13,16-17,19,23,25,27,31,36H,3,8-9,14-15,18,20H2/t25-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474375 ((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...) Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474376 ((S)-6-benzhydryl-11-hydroxy-N,N-dimethyl- 10-oxo-5...) Show SMILES CN(C)C(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H24N4O3/c1-28(2)26(33)19-15-27-25-23-24(32)21(31)13-14-29(23)20(16-30(19)25)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,20,22,32H,16H2,1-2H3/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474378 ((S)-6-benzhydryl-11-hydroxy-N-(2- methoxyethyl)-10...) Show SMILES COCCNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O4/c1-35-15-13-28-27(34)20-16-29-26-24-25(33)22(32)12-14-30(24)21(17-31(20)26)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,14,16,21,23,33H,13,15,17H2,1H3,(H,28,34)/t21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474377 ((S)-6-benzhydryl-11-hydroxy-N-methyl-10- oxo-5,6-d...) Show SMILES CNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H22N4O3/c1-26-25(32)18-14-27-24-22-23(31)20(30)12-13-28(22)19(15-29(18)24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,21,31H,15H2,1H3,(H,26,32)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair