BDBM50271265 CHEMBL4126987

SMILES [H][C@]1(O[C@](F)([C@H](F)C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key InChIKey=AHSNGFVNAWRJGS-WNBQUBFESA-N

Data  22 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50271265   

TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 985nMAssay Description:Inhibition of Influenza A virus (A/chicken/Vietnam/08/2004 (H5N1)) clade 1 neuraminidase activity using 4-MUNANA as substrate measured every min for ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 474nMAssay Description:Inhibition of Influenza A virus (A/swine/Shepparton/6/2009 (H1N1)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza B virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 76nMAssay Description:Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescence ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza B virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza B virus (B/Lee/40))
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 32nMAssay Description:Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase D197E mutant activity using 4-MUNANA as substrate preincubated for 60 mins followed ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (A/Brisbane/59/2007(H1N1)))
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 3.71E+3nMAssay Description:Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase E119V mutant activity using 4-MUNANA as substrate measured every min for 60 mins ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (A/Brisbane/59/2007(H1N1)))
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 3.68E+3nMAssay Description:Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase E119V mutant activity using 4-MUNANA as substrate preincubated for 60 mins follow...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of Influenza A virus (A/NWS/G70C(H1N9)) neuraminidase E119G mutant activity using 4-MUNANA as substrate preincubated for 60 mins followed ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 69nMAssay Description:Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 24nMAssay Description:Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase H274Y mutant using 4-MUNANA as substrate measured every min for 60 mins by...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of Influenza A virus (A/chicken/Vietnam/08/2004 (H5N1)) clade 1 neuraminidase activity using 4-MUNANA as substrate preincubated for 60 min...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 535nMAssay Description:Inhibition of Influenza A virus (A/chicken/Bangli/BBVD-563/2007(H5N1)) clade 2 neuraminidase activity using 4-MUNANA as substrate measured every min ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 428nMAssay Description:Inhibition of Influenza A virus (A/California/07/09 (H1N1)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluo...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 490nMAssay Description:Inhibition of Influenza A virus (A/swine/Shepparton/6/2009 (H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins follow...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza B virus (B/Lee/40))
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 250nMAssay Description:Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase D197E mutant activity using 4-MUNANA as substrate measured every min for 60 mins by ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 1.28E+3nMAssay Description:Inhibition of Influenza A virus (A/NWS/G70C(H1N9)) neuraminidase E119G mutant activity using 4-MUNANA as substrate measured every min for 60 mins by ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 133nMAssay Description:Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase H274Y mutant using 4-MUNANA as substrate preincubated for 60 mins followed...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 583nMAssay Description:Inhibition of Influenza A virus (A/chicken/Bangli/BBVD-563/2007(H5N1)) clade 2 neuraminidase activity using 4-MUNANA as substrate preincubated for 60...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Memphis/1/1971 H3N2))
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 313nMAssay Description:Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescen...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus (strain A/Memphis/1/1971 H3N2))
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 318nMAssay Description:Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substra...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 490nMAssay Description:Inhibition of Influenza A virus (A/California/07/09 (H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by s...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
CSIRO Manufacturing

Curated by ChEMBL
LigandPNGBDBM50271265(CHEMBL4126987)
Show SMILES CC(=O)N[C@@H]1C[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Affinity DataIC50: 48nMAssay Description:Inhibition of Influenza A virus (A/Mississippi/03/01 (H1N1)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by flu...More data for this Ligand-Target Pair