Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'madigan' and Initial = 'd'   

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
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM194 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(O)c(OC)c3)C2=O)ccc1O |r| Show InChI InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	-65.6	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM195 ((5R,6R)-1,5-dibenzyl-2-(cyclopropylmethyl)-6-hydro...) Show SMILES COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(CC3CC3)C2=O)ccc1O |r| Show InChI InChI=1S/C30H35N3O4/c1-37-29-17-25(14-15-27(29)34)19-32-26(16-22-8-4-2-5-9-22)28(35)21-31(18-23-10-6-3-7-11-23)33(30(32)36)20-24-12-13-24/h2-11,14-15,17,24,26,28,34-35H,12-13,16,18-21H2,1H3/t26-,28-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0620	-59.2	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM192 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxyp...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O4/c36-28-15-11-26(12-16-28)21-34-30(19-24-7-3-1-4-8-24)31(38)23-33(20-25-9-5-2-6-10-25)35(32(34)39)22-27-13-17-29(37)18-14-27/h1-18,30-31,36-38H,19-23H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	-58.9	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM189 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis({[4-(hydrox...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C34H37N3O4/c38-24-30-15-11-28(12-16-30)21-36-32(19-26-7-3-1-4-8-26)33(40)23-35(20-27-9-5-2-6-10-27)37(34(36)41)22-29-13-17-31(25-39)18-14-29/h1-18,32-33,38-40H,19-25H2/t32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-56.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM193 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(3-methoxyp...) Show SMILES COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1 |r| Show InChI InChI=1S/C34H37N3O4/c1-40-30-17-9-15-28(19-30)23-36-32(21-26-11-5-3-6-12-26)33(38)25-35(22-27-13-7-4-8-14-27)37(34(36)39)24-29-16-10-18-31(20-29)41-2/h3-20,32-33,38H,21-25H2,1-2H3/t32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	-56.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM190 ((5R,6R)-2,4-Bis[4-(hydroxymethyl)benzyl]-1-(3-fura...) Show SMILES OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccoc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| Show InChI InChI=1S/C32H35N3O5/c36-21-27-10-6-25(7-11-27)18-34-30(16-24-4-2-1-3-5-24)31(38)20-33(17-29-14-15-40-23-29)35(32(34)39)19-26-8-12-28(22-37)13-9-26/h1-15,23,30-31,36-38H,16-22H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.490	-54.0	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM191 ((5R,6R)-1,2,4,5-tetrabenzyl-6-hydroxy-1,2,4-triaze...) Show SMILES O[C@@H]1CN(Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| Show InChI InChI=1S/C32H33N3O2/c36-31-25-33(22-27-15-7-2-8-16-27)35(24-29-19-11-4-12-20-29)32(37)34(23-28-17-9-3-10-18-28)30(31)21-26-13-5-1-6-14-26/h1-20,30-31,36H,21-25H2/t30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-50.5	n/a	n/a	n/a	n/a	n/a	4.7	30
Abbott Laboratories					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P...				J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5200 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-12(17-9(3)20)14-10(11-4-5-16-19-11)7-13(18-14)15(21)22/h4-5,8,10,12-14,18H,6-7H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	-41.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5200 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-12(17-9(3)20)14-10(11-4-5-16-19-11)7-13(18-14)15(21)22/h4-5,8,10,12-14,18H,6-7H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	-40.9	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5195 ((+/-)-(2R,4R,5S,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5202 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5201 ((2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O4/c1-8(2)6-12(16-9(3)19)14-10(11-4-5-22-18-11)7-13(17-14)15(20)21/h4-5,8,10,12-14,17H,6-7H2,1-3H3,(H,16,19)(H,20,21)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5195 ((+/-)-(2R,4R,5S,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	260	-37.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5201 ((2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O4/c1-8(2)6-12(16-9(3)19)14-10(11-4-5-22-18-11)7-13(17-14)15(20)21/h4-5,8,10,12-14,17H,6-7H2,1-3H3,(H,16,19)(H,20,21)/t10-,12-,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5203 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O3/c1-5-10-7-12(14(18)19)16-13(10)11(6-8(2)3)15-9(4)17/h5,8,10-13,16H,1,6-7H2,2-4H3,(H,15,17)(H,18,19)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5198 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)6-11(17-9(3)19)13-10(14-16-4-5-22-14)7-12(18-13)15(20)21/h4-5,8,10-13,18H,6-7H2,1-3H3,(H,17,19)(H,20,21)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	-36.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5205 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C16H28N2O3/c1-9(2)6-12-8-14(16(20)21)18-15(12)13(7-10(3)4)17-11(5)19/h6,10,12-15,18H,7-8H2,1-5H3,(H,17,19)(H,20,21)/t12-,13+,14-,15-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5199 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-11(18-9(3)20)13-10(14-16-4-5-17-14)7-12(19-13)15(21)22/h4-5,8,10-13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	-36.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5197 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)4-11(17-9(3)19)14-10(13-6-22-7-16-13)5-12(18-14)15(20)21/h6-8,10-12,14,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	-36.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5198 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)6-11(17-9(3)19)13-10(14-16-4-5-22-14)7-12(18-13)15(20)21/h4-5,8,10-13,18H,6-7H2,1-3H3,(H,17,19)(H,20,21)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	-36.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5205 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C16H28N2O3/c1-9(2)6-12-8-14(16(20)21)18-15(12)13(7-10(3)4)17-11(5)19/h6,10,12-15,18H,7-8H2,1-5H3,(H,17,19)(H,20,21)/t12-,13+,14-,15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5206 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C14H22F2N2O3/c1-7(2)4-10(17-8(3)19)13-9(6-12(15)16)5-11(18-13)14(20)21/h6-7,9-11,13,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t9-,10-,11+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5203 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H24N2O3/c1-5-10-7-12(14(18)19)16-13(10)11(6-8(2)3)15-9(4)17/h5,8,10-13,16H,1,6-7H2,2-4H3,(H,15,17)(H,18,19)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5197 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H23N3O3S/c1-8(2)4-11(17-9(3)19)14-10(13-6-22-7-16-13)5-12(18-14)15(20)21/h6-8,10-12,14,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	-35.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5196 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)4-11(18-9(3)20)14-10(13-6-16-7-17-13)5-12(19-14)15(21)22/h6-8,10-12,14,19H,4-5H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	610	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5196 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)4-11(18-9(3)20)14-10(13-6-16-7-17-13)5-12(19-14)15(21)22/h6-8,10-12,14,19H,4-5H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	610	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5206 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r| Show InChI InChI=1S/C14H22F2N2O3/c1-7(2)4-10(17-8(3)19)13-9(6-12(15)16)5-11(18-13)14(20)21/h6-7,9-11,13,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t9-,10-,11+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5199 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...) Show SMILES [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-11(18-9(3)20)13-10(14-16-4-5-17-14)7-12(19-13)15(21)22/h4-5,8,10-13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	830	-34.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5194 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1N)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C12H23N3O3/c1-6(2)4-9(14-7(3)16)11-8(13)5-10(15-11)12(17)18/h6,8-11,15H,4-5,13H2,1-3H3,(H,14,16)(H,17,18)/t8-,9+,10-,11-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.56E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5207 ((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5192 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)CC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O4/c1-5-13(19)10-7-12(15(20)21)17-14(10)11(6-8(2)3)16-9(4)18/h8,10-12,14,17H,5-7H2,1-4H3,(H,16,18)(H,20,21)/t10-,11-,12+,14+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.67E+3	-29.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5190 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)OCC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C15H26N2O5/c1-5-22-15(21)10-7-12(14(19)20)17-13(10)11(6-8(2)3)16-9(4)18/h8,10-13,17H,5-7H2,1-4H3,(H,16,18)(H,19,20)/t10-,11+,12-,13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.24E+4	-27.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5191 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1COC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H26N2O4/c1-8(2)5-11(15-9(3)17)13-10(7-20-4)6-12(16-13)14(18)19/h8,10-13,16H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t10-,11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.51E+4	-27.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Memphis/3/93))	BDBM5193 ((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...) Show SMILES [H][C@]1(N[C@H](C[C@H]1C(=O)NC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C14H25N3O4/c1-7(2)5-10(16-8(3)18)12-9(13(19)15-4)6-11(17-12)14(20)21/h7,9-12,17H,5-6H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t9-,10+,11-,12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	>-24.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...				J Med Chem 48: 3980-90 (2005) Article DOI: 10.1021/jm049276y BindingDB Entry DOI: 10.7270/Q2KP80B9
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186156 (CHEMBL379613 | N-{3-[1-(cyclobutylamino)-4-hydroxy...) Show SMILES NS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2ccccc2n(NC2CCC2)c1=O |c:9| Show InChI InChI=1S/C20H20N6O6S2/c21-34(31,32)24-12-8-9-14-16(10-12)33(29,30)25-19(22-14)17-18(27)13-6-1-2-7-15(13)26(20(17)28)23-11-4-3-5-11/h1-2,6-11,23-24,27H,3-5H2,(H,22,25)(H2,21,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186153 (CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186150 (CHEMBL208740 | N-{3-[4-hydroxy-1-(3-methylbutyl)-2...) Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(N)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C20H22N6O6S2/c1-11(2)7-9-26-19-13(4-3-8-22-19)17(27)16(20(26)28)18-23-14-6-5-12(24-34(21,31)32)10-15(14)33(29,30)25-18/h3-6,8,10-11,24,27H,7,9H2,1-2H3,(H,23,25)(H2,21,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186156 (CHEMBL379613 | N-{3-[1-(cyclobutylamino)-4-hydroxy...) Show SMILES NS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2ccccc2n(NC2CCC2)c1=O |c:9| Show InChI InChI=1S/C20H20N6O6S2/c21-34(31,32)24-12-8-9-14-16(10-12)33(29,30)25-19(22-14)17-18(27)13-6-1-2-7-15(13)26(20(17)28)23-11-4-3-5-11/h1-2,6-11,23-24,27H,3-5H2,(H,22,25)(H2,21,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186147 (CHEMBL210050 | N-benzyl({3-[4-hydroxy-1-(3-methylb...) Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NCc4ccccc4)cc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C27H28N6O6S2/c1-17(2)12-14-33-26-20(9-6-13-28-26)24(34)23(27(33)35)25-30-21-11-10-19(15-22(21)40(36,37)32-25)31-41(38,39)29-16-18-7-4-3-5-8-18/h3-11,13,15,17,29,31,34H,12,14,16H2,1-2H3,(H,30,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186153 (CHEMBL210158 | N-{3-[4-Hydroxy-1-(3-methyl-butyl)-...) Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C21H23N5O6S2/c1-12(2)8-10-26-20-14(5-4-9-22-20)18(27)17(21(26)28)19-23-15-7-6-13(24-33(3,29)30)11-16(15)34(31,32)25-19/h4-7,9,11-12,24,27H,8,10H2,1-3H3,(H,23,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186141 (2-cyanoethyl N-({3-[4-hydroxy-1-(3-methylbutyl)-2-...) Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)NC(=O)OCCC#N)cc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C24H25N7O8S2/c1-14(2)8-11-31-22-16(5-3-10-26-22)20(32)19(23(31)33)21-27-17-7-6-15(13-18(17)40(35,36)29-21)28-41(37,38)30-24(34)39-12-4-9-25/h3,5-7,10,13-14,28,32H,4,8,11-12H2,1-2H3,(H,27,29)(H,30,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1b NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186146 (3-[1-(cyclobutylamino)-4-hydroxy-2-oxo-1,2-dihydro...) Show SMILES CNS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2ccccc2n(NC2CCC2)c1=O |c:10| Show InChI InChI=1S/C21H22N6O6S2/c1-22-35(32,33)25-13-9-10-15-17(11-13)34(30,31)26-20(23-15)18-19(28)14-7-2-3-8-16(14)27(21(18)29)24-12-5-4-6-12/h2-3,7-12,22,24-25,28H,4-6H2,1H3,(H,23,26)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50186150 (CHEMBL208740 | N-{3-[4-hydroxy-1-(3-methylbutyl)-2...) Show SMILES CC(C)CCn1c2ncccc2c(O)c(C2=Nc3ccc(NS(N)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16| Show InChI InChI=1S/C20H22N6O6S2/c1-11(2)7-9-26-19-13(4-3-8-22-19)17(27)16(20(26)28)18-23-14-6-5-12(24-34(21,31)32)10-15(14)33(29,30)25-18/h3-6,8,10-11,24,27H,7,9H2,1-2H3,(H,23,25)(H2,21,31,32)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50222317 (CHEMBL394002 | N-[(4-methoxyphenyl)methyl]({3-[4-h...) Show SMILES COc1ccc(CNS(=O)(=O)Nc2ccc3N=C(NS(=O)(=O)c3c2)c2c(O)c3cccnc3n(CCC(C)C)c2=O)cc1 |c:16| Show InChI InChI=1S/C28H30N6O7S2/c1-17(2)12-14-34-27-21(5-4-13-29-27)25(35)24(28(34)36)26-31-22-11-8-19(15-23(22)42(37,38)33-26)32-43(39,40)30-16-18-6-9-20(41-3)10-7-18/h4-11,13,15,17,30,32,35H,12,14,16H2,1-3H3,(H,31,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of HCV 1a NS5B RNA polymerase				Bioorg Med Chem Lett 16: 3367-70 (2006) Article DOI: 10.1016/j.bmcl.2006.04.015 BindingDB Entry DOI: 10.7270/Q2P26XQC
					More data for this Ligand-Target Pair

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