Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with Target = 'Hemagglutinin' AND taxid = 1144025   

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
Hemagglutinin (Influenza A virus (A/Shangdong/9/93(H3N2)))	BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) Show SMILES [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	1	-53.4	5	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 7: 1837-42 (1997) Article DOI: 10.1016/S0960-894X(97)00333-8 BindingDB Entry DOI: 10.7270/Q2FX77MK
					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (A/Shangdong/9/93(H3N2)))	BDBM5210 (3-carbamimidamido-4-acetamido-5-[(1S,2R)-1,2,3-tri...) Show SMILES CC(=O)Nc1c(cc(cc1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N |r| Show InChI InChI=1S/C13H18N4O6/c1-5(19)16-10-7(11(21)9(20)4-18)2-6(12(22)23)3-8(10)17-13(14)15/h2-3,9,11,18,20-21H,4H2,1H3,(H,16,19)(H,22,23)(H4,14,15,17)/t9-,11+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>1.00E+5	>-23.7	>1.00E+5	n/a	n/a	n/a	n/a	6.5	37
Gilead Sciences Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				Bioorg Med Chem Lett 7: 1837-42 (1997) Article DOI: 10.1016/S0960-894X(97)00333-8 BindingDB Entry DOI: 10.7270/Q2FX77MK
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493534 (US10987354, Example 3) Show SMILES OC(=O)C1C2CCC(CC2)C1Nc1nc(nc(-c2ccco2)c1F)-c1c[nH]c2ncc(Cl)nc12 |(4.56,3.22,;5.58,2.06,;7.09,2.37,;5.09,.6,;6.02,-.75,;5.55,-2.22,;4.04,-2.54,;3.01,-1.39,;4.1,-.3,;4.93,-1.84,;3.49,.07,;2.46,1.22,;.95,.9,;.47,-.57,;-1.03,-.89,;-2.06,.25,;-1.59,1.72,;-2.62,2.86,;-4.15,2.7,;-4.78,4.11,;-3.63,5.14,;-2.3,4.37,;-.08,2.04,;.39,3.5,;-1.51,-2.35,;-.6,-3.6,;-1.51,-4.85,;-2.97,-4.37,;-4.31,-5.14,;-5.64,-4.37,;-5.64,-2.83,;-6.97,-2.06,;-4.31,-2.06,;-2.97,-2.83,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.672	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493539 (US10987354, Example 4) Show SMILES OC(=O)C1C2CCC(CC2)C1Nc1nc(nc(c1F)-c1ccccc1)-c1c[nH]c2ncc(Cl)nc12 |(4.56,3.05,;5.58,1.9,;7.09,2.2,;5.09,.44,;6.02,-.92,;5.55,-2.38,;4.04,-2.7,;3.01,-1.56,;4.1,-.47,;4.93,-2.01,;3.49,-.1,;2.46,1.05,;.95,.73,;.47,-.74,;-1.03,-1.06,;-2.06,.09,;-1.59,1.55,;-.08,1.87,;.39,3.34,;-2.62,2.7,;-2.14,4.16,;-3.17,5.31,;-4.68,4.99,;-5.15,3.52,;-4.12,2.38,;-1.51,-2.52,;-.6,-3.77,;-1.51,-5.01,;-2.97,-4.54,;-4.31,-5.31,;-5.64,-4.54,;-5.64,-3,;-6.97,-2.23,;-4.31,-2.23,;-2.97,-3,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.116	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493540 (US10987354, Example 5) Show SMILES Cn1cc(cn1)-c1nc(nc(NC2C3CCC(CC3)C2C(O)=O)c1F)-c1c[nH]c2ncc(Cl)nc12 |(-4.3,5.82,;-3.9,4.34,;-2.52,3.64,;-2.77,2.12,;-4.29,1.87,;-4.99,3.25,;-1.68,1.03,;-2.07,-.46,;-.99,-1.55,;.5,-1.15,;.9,.34,;2.39,.73,;3.48,-.35,;3.08,-1.84,;4.17,-2.93,;5.65,-2.53,;6.05,-1.04,;4.57,-.65,;4.57,-2.19,;5.07,.34,;5.49,1.82,;4.41,2.92,;6.98,2.2,;-.19,1.43,;.21,2.91,;-1.38,-3.04,;-.48,-4.28,;-1.38,-5.53,;-2.85,-5.05,;-4.18,-5.82,;-5.52,-5.05,;-5.52,-3.51,;-6.85,-2.74,;-4.18,-2.74,;-2.85,-3.51,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.52	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493543 (US10987354, Example 6) Show SMILES OC(=O)C1C2CCC(CC2)C1Nc1nc(nc(-c2cc3ccccc3o2)c1F)-c1c[nH]c2ncc(Cl)nc12 |(4.42,2.72,;5.5,1.62,;6.99,2,;5.08,.14,;6.06,-1.24,;5.67,-2.73,;4.18,-3.13,;3.09,-2.04,;4.58,-2.39,;4.58,-.85,;3.49,-.55,;2.4,.54,;.91,.14,;.51,-1.35,;-.98,-1.75,;-2.06,-.66,;-1.67,.83,;-2.75,1.92,;-4.28,1.68,;-4.97,3.05,;-6.46,3.45,;-6.86,4.93,;-5.77,6.02,;-4.28,5.62,;-3.89,4.14,;-2.51,3.44,;-.18,1.23,;.22,2.71,;-1.37,-3.24,;-.47,-4.48,;-1.37,-5.73,;-2.84,-5.25,;-4.17,-6.02,;-5.51,-5.25,;-5.51,-3.71,;-6.84,-2.94,;-4.17,-2.94,;-2.84,-3.71,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493544 (US10987354, Example 8) Show SMILES CC(C)(C)[C@@H](CC(O)=O)Nc1nc(nc(-c2ccco2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.394	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493562 (US10987354, Example 12) Show SMILES OC(=O)C1C2CCC(CC2)C1Nc1cc(nc(n1)-c1c[nH]c2ncc(Cl)nc12)-c1ccccc1 |(4.4,3.4,;5.47,2.3,;6.96,2.68,;5.05,.81,;6.05,-.48,;5.65,-1.97,;4.17,-2.36,;3.08,-1.28,;4.17,-.19,;4.94,-1.52,;3.48,.21,;2.39,1.3,;.9,.9,;-.19,1.99,;-1.68,1.59,;-2.07,.1,;-.99,-.98,;.5,-.59,;-1.38,-2.47,;-.48,-3.72,;-1.38,-4.96,;-2.85,-4.49,;-4.18,-5.26,;-5.52,-4.49,;-5.52,-2.95,;-6.85,-2.18,;-4.18,-2.18,;-2.85,-2.95,;-2.77,2.68,;-2.37,4.17,;-3.46,5.26,;-4.94,4.86,;-5.34,3.37,;-4.25,2.28,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.54	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493563 (US10987354, Example 13) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2cccs2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:3.2,wD:10.12,(4.41,3.66,;5.49,2.56,;6.98,2.94,;5.07,1.08,;6.05,-.3,;5.65,-1.79,;4.17,-2.19,;3.08,-1.1,;4.57,-1.44,;4.57,.1,;3.48,.39,;2.39,1.48,;.9,1.08,;.5,-.41,;-.99,-.81,;-2.07,.28,;-1.68,1.77,;-2.77,2.86,;-4.29,2.62,;-4.99,3.99,;-3.9,5.08,;-2.52,4.38,;-.19,2.17,;.21,3.66,;-1.38,-2.29,;-.48,-3.54,;-1.38,-4.79,;-2.85,-4.31,;-4.18,-5.08,;-5.52,-4.31,;-5.52,-2.77,;-6.85,-2,;-4.18,-2,;-2.85,-2.77,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0170	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493576 (US10987354, Example 66) Show SMILES CC(C)Cn1ccc2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc12)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.9,wD:17.19,(-3.6,5.32,;-2.27,4.55,;-.94,5.32,;-2.27,3.01,;-.94,2.24,;.47,2.87,;1.5,1.72,;.73,.39,;1.21,-1.08,;2.71,-1.4,;3.74,-.25,;3.27,1.21,;4.3,2.36,;5.81,2.04,;6.28,.57,;4.76,1.61,;4.36,.12,;5.36,-.76,;5.85,-2.22,;4.84,-3.38,;7.37,-2.52,;.18,-2.22,;-1.33,-1.9,;-1.81,-.44,;-.77,.71,;-2.36,-3.04,;-2.04,-4.55,;-3.37,-5.32,;-4.52,-4.29,;-6.05,-4.45,;-6.95,-3.21,;-6.33,-1.8,;-7.23,-.55,;-4.8,-1.64,;-3.89,-2.88,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.274	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493565 (US10987354, Example 20) Show SMILES CC(C)n1ccc2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc12)-c1c[nH]c2ncc(Cl)nc12 |r,wU:9.8,wD:16.18,(-5.09,-2.44,;-4,-3.53,;-4.4,-5.01,;-2.52,-3.13,;-1.55,-4.32,;-.11,-3.77,;-.19,-2.23,;.9,-1.15,;2.39,-1.54,;3.48,-.46,;3.08,1.03,;4.17,2.12,;5.65,1.72,;6.05,.24,;4.57,-.16,;4.57,1.38,;5.07,-1.15,;5.49,-2.63,;4.41,-3.73,;6.98,-3.01,;.5,.34,;-.99,.74,;-2.07,-.35,;-1.68,-1.84,;-1.38,2.23,;-.48,3.47,;-1.38,4.72,;-2.85,4.24,;-4.18,5.01,;-5.52,4.24,;-5.52,2.7,;-6.85,1.93,;-4.18,1.93,;-2.85,2.7,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.192	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493566 (US10987354, Example 27) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2ccc(s2)C2CC2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.12,wD:3.2,(4.57,-4.01,;5.66,-2.93,;7.15,-3.33,;5.27,-1.44,;6.35,-.26,;5.95,1.23,;4.46,1.62,;3.37,.54,;4.46,-.55,;5.23,.78,;3.77,-.95,;2.68,-2.04,;1.19,-1.64,;.1,-2.73,;-1.38,-2.33,;-1.78,-.85,;-.69,.24,;-1.09,1.73,;-.35,3.08,;-1.41,4.2,;-2.8,3.54,;-2.6,2.01,;-4.14,4.31,;-4.91,5.65,;-5.68,4.31,;.8,-.15,;1.88,.93,;-2.47,-3.42,;-2.23,-4.94,;-3.6,-5.65,;-4.69,-4.56,;-6.23,-4.65,;-7.07,-3.36,;-6.37,-1.98,;-7.14,-.65,;-4.84,-1.9,;-3.99,-3.19,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0240	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493568 (US10987354, Example 29) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2ccc(Cl)s2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.12,wD:3.2,(4.41,-2.92,;5.49,-1.82,;6.98,-2.2,;5.07,-.34,;6.05,1.04,;5.65,2.53,;4.17,2.93,;3.08,1.84,;4.57,2.19,;4.57,.65,;3.48,.35,;2.39,-.73,;.9,-.34,;.5,1.15,;-.99,1.55,;-2.07,.46,;-1.68,-1.03,;-2.77,-2.12,;-4.29,-1.87,;-4.99,-3.25,;-3.9,-4.34,;-4.3,-5.82,;-2.52,-3.64,;-.19,-1.43,;.21,-2.91,;-1.38,3.04,;-.48,4.28,;-1.38,5.53,;-2.85,5.05,;-4.18,5.82,;-5.52,5.05,;-5.52,3.51,;-6.85,2.74,;-4.18,2.74,;-2.85,3.51,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493569 (US10987354, Example 33) Show SMILES Cc1ccc(s1)-c1nc(nc(N[C@H]2C3CCC(CC3)[C@@H]2C(O)=O)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:12.12,wD:19.22,(-4.3,-5.82,;-3.9,-4.34,;-4.99,-3.25,;-4.29,-1.87,;-2.77,-2.12,;-2.52,-3.64,;-1.68,-1.03,;-2.07,.46,;-.99,1.55,;.5,1.15,;.9,-.34,;2.39,-.73,;3.48,.35,;3.08,1.84,;4.17,2.93,;5.65,2.53,;6.05,1.04,;4.57,.65,;4.57,2.19,;5.07,-.34,;5.49,-1.82,;4.41,-2.92,;6.98,-2.2,;-.19,-1.43,;.21,-2.91,;-1.38,3.04,;-.48,4.28,;-1.38,5.53,;-2.85,5.05,;-4.18,5.82,;-5.52,5.05,;-5.52,3.51,;-6.85,2.74,;-4.18,2.74,;-2.85,3.51,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493570 (US10987354, Example 39) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(nc(n1)-c1c[nH]c2ncc(Cl)nc12)N1CCN(CC1)c1ccccc1 |r,wU:3.2,wD:10.12,(5.27,1.76,;6.35,.66,;7.84,1.04,;5.93,-.82,;6.93,-2.11,;6.53,-3.6,;5.05,-4,;3.96,-2.91,;5.05,-1.82,;5.82,-3.15,;4.36,-1.42,;3.27,-.33,;1.78,-.73,;.69,.36,;-.8,-.04,;-1.2,-1.53,;-.11,-2.62,;1.38,-2.22,;-.51,-4.11,;.4,-5.35,;-.51,-6.6,;-1.97,-6.12,;-3.3,-6.89,;-4.64,-6.12,;-4.64,-4.58,;-5.97,-3.81,;-3.3,-3.81,;-1.97,-4.58,;-1.89,1.05,;-1.49,2.54,;-2.58,3.62,;-4.06,3.23,;-4.46,1.74,;-3.37,.65,;-5.15,4.31,;-4.75,5.8,;-5.84,6.89,;-7.33,6.49,;-7.73,5,;-6.64,3.92,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.22	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493571 (US10987354, Example 49) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2nccs2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.12,wD:3.2,(4.57,-3.29,;5.66,-2.21,;7.15,-2.61,;5.27,-.72,;6.35,.46,;5.95,1.95,;4.46,2.35,;3.37,1.26,;4.46,.17,;5.23,1.5,;3.77,-.23,;2.68,-1.32,;1.19,-.92,;.1,-2.01,;-1.38,-1.61,;-1.78,-.12,;-.69,.97,;-1.09,2.45,;-.35,3.8,;-1.41,4.92,;-2.8,4.26,;-2.6,2.74,;.8,.57,;1.88,1.66,;-2.47,-2.7,;-2.23,-4.22,;-3.6,-4.92,;-4.69,-3.84,;-6.23,-3.92,;-7.07,-2.64,;-6.37,-1.26,;-7.14,.07,;-4.84,-1.18,;-3.99,-2.46,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.521	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493572 (US10987354, Example 55) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(nc(n1)-c1c[nH]c2ncc(Cl)nc12)-n1cccc1 |r,wU:3.2,wD:10.12,(4.4,3.58,;5.47,2.47,;6.96,2.85,;5.05,.99,;6.05,-.3,;5.65,-1.79,;4.17,-2.19,;3.08,-1.1,;4.17,-.01,;4.94,-1.34,;3.48,.39,;2.39,1.48,;.9,1.08,;-.19,2.17,;-1.68,1.77,;-2.07,.28,;-.99,-.81,;.5,-.41,;-1.38,-2.29,;-.48,-3.54,;-1.38,-4.79,;-2.85,-4.31,;-4.18,-5.08,;-5.52,-4.31,;-5.52,-2.77,;-6.85,-2,;-4.18,-2,;-2.85,-2.77,;-2.77,2.86,;-2.52,4.38,;-3.9,5.08,;-4.99,3.99,;-4.29,2.62,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.680	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493573 (US10987354, Example 62) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2ccc(F)s2)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.12,wD:3.2,(4.41,-2.92,;5.49,-1.82,;6.98,-2.2,;5.07,-.34,;6.05,1.04,;5.65,2.53,;4.17,2.93,;3.08,1.84,;4.57,2.19,;4.57,.65,;3.48,.35,;2.39,-.73,;.9,-.34,;.5,1.15,;-.99,1.55,;-2.07,.46,;-1.68,-1.03,;-2.77,-2.12,;-4.29,-1.87,;-4.99,-3.25,;-3.9,-4.34,;-4.3,-5.82,;-2.52,-3.64,;-.19,-1.43,;.21,-2.91,;-1.38,3.04,;-.48,4.28,;-1.38,5.53,;-2.85,5.05,;-4.18,5.82,;-5.52,5.05,;-5.52,3.51,;-6.85,2.74,;-4.18,2.74,;-2.85,3.51,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0110	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493574 (US10987354, Example 63) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2ccc(s2)C#N)c1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:10.12,wD:3.2,(4.41,-2.18,;5.49,-1.08,;6.98,-1.46,;5.07,.41,;6.05,1.79,;5.65,3.28,;4.17,3.67,;3.08,2.59,;4.57,2.93,;4.57,1.39,;3.48,1.1,;2.39,.01,;.9,.41,;.5,1.9,;-.99,2.29,;-2.07,1.2,;-1.68,-.28,;-2.77,-1.37,;-4.29,-1.13,;-4.99,-2.5,;-3.9,-3.63,;-2.52,-2.89,;-4.14,-5.15,;-4.38,-6.67,;-.19,-.68,;.21,-2.17,;-1.38,3.78,;-.48,5.03,;-1.38,6.27,;-2.85,5.8,;-4.18,6.57,;-5.52,5.8,;-5.52,4.26,;-6.85,3.49,;-4.18,3.49,;-2.85,4.26,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0790	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493575 (US10987354, Example 64) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc(-c2cccs2)c1F)-c1c[nH]c2nccnc12 |r,wU:10.12,wD:3.2,(3.94,-3.29,;4.96,-2.13,;6.47,-2.42,;4.46,-.67,;5.36,.75,;4.88,2.22,;3.37,2.54,;2.34,1.39,;3.83,1.79,;3.83,.25,;2.82,-.07,;1.79,-1.22,;.28,-.9,;-.19,.57,;-1.7,.89,;-2.73,-.25,;-2.25,-1.72,;-3.28,-2.86,;-4.82,-2.7,;-5.44,-4.11,;-4.3,-5.14,;-2.96,-4.37,;-.75,-2.04,;-.27,-3.5,;-2.18,2.35,;-1.27,3.6,;-2.18,4.85,;-3.64,4.37,;-4.97,5.14,;-6.31,4.37,;-6.31,2.83,;-4.97,2.06,;-3.64,2.83,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.887	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493533 (US10987354, Example 1) Show SMILES OC(=O)C1C2CCC(CC2)C1Nc1cc(nc(n1)-c1c[nH]c2ncc(Cl)nc12)-c1ccco1 |(4.56,3.29,;5.58,2.14,;7.09,2.45,;5.1,.67,;6.02,-.75,;5.55,-2.22,;4.04,-2.54,;3.01,-1.39,;4.5,-1.79,;4.54,-.35,;3.49,.07,;2.46,1.22,;.95,.9,;-.08,2.04,;-1.59,1.72,;-2.06,.25,;-1.03,-.89,;.47,-.57,;-1.51,-2.35,;-.6,-3.6,;-1.51,-4.85,;-2.97,-4.37,;-4.31,-5.14,;-5.64,-4.37,;-5.64,-2.83,;-6.97,-2.06,;-4.31,-2.06,;-2.97,-2.83,;-2.62,2.86,;-4.15,2.7,;-4.78,4.11,;-3.63,5.14,;-2.3,4.37,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.89	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493532 (US10987354, Control Compound A) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(Cl)nc12 |r,wU:3.2,wD:10.12,(4.56,4.01,;5.58,2.86,;7.09,3.16,;5.08,1.4,;6.02,.06,;5.55,-1.4,;4.04,-1.72,;3.01,-.58,;4.34,.19,;4.78,-.75,;3.49,.89,;2.46,2.03,;.95,1.71,;.47,.25,;-1.03,-.07,;-2.06,1.07,;-1.59,2.54,;-.08,2.86,;.39,4.32,;-1.51,-1.54,;-.6,-2.78,;-1.51,-4.03,;-2.97,-3.55,;-4.31,-4.32,;-5.64,-3.55,;-5.64,-2.01,;-6.97,-1.24,;-4.31,-1.24,;-2.97,-2.01,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33.2	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair
Hemagglutinin/Neuraminidase ()	BDBM493564 (US10987354, Example 15) Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(nc(n1)-c1c[nH]c2ncc(Cl)nc12)-c1cc2ccccc2s1 |r,wU:3.2,wD:10.12,(4.42,2.72,;5.5,1.62,;6.99,2,;5.08,.14,;6.06,-1.24,;5.67,-2.73,;4.18,-3.13,;3.09,-2.04,;4.58,-2.39,;4.58,-.85,;3.49,-.55,;2.4,.54,;.91,.14,;-.18,1.23,;-1.67,.83,;-2.06,-.66,;-.98,-1.75,;.51,-1.35,;-1.37,-3.24,;-.47,-4.48,;-1.37,-5.73,;-2.84,-5.25,;-4.17,-6.02,;-5.51,-5.25,;-5.51,-3.71,;-6.84,-2.94,;-4.17,-2.94,;-2.84,-3.71,;-2.75,1.92,;-4.28,1.68,;-4.97,3.05,;-6.46,3.45,;-6.86,4.93,;-5.77,6.02,;-4.28,5.62,;-3.89,4.14,;-2.51,3.44,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.760	n/a	n/a	n/a	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description MDCK cells (Madin-Daby canine kidney cells) were seeded in a 384-well plate with 2000 cells per well and cultured at 37° C. under 5% CO2 condition ov...				US Patent US10987354 (2021) BindingDB Entry DOI: 10.7270/Q2G73HVX
					More data for this Ligand-Target Pair