Affinity Data by PDB ID

PDB code 3TIC

Identical Ligands in BindingDB

Found 8 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neuraminidase (441/469 = 94%)^† (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.73	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Memphis/1/71(H3N2) sialidase preincubated for 15 mins followed by MUNA substrate addition measured after 15 mins by...				Bioorg Med Chem 26: 17-24 (2018) Article DOI: 10.1016/j.bmc.2017.09.038 BindingDB Entry DOI: 10.7270/Q2S75JXS
Meiji Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (452/469 = 96%)^† (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	6.5	37
BioCryst Pharmaceuticals, Inc.					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 44: 4379-92 (2001) Article DOI: 10.1021/jm010277p BindingDB Entry DOI: 10.7270/Q2GX48RZ
BioCryst Pharmaceuticals, Inc.					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (451/469 = 96%)^† (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.66	n/a	n/a	n/a	n/a	n/a	n/a
Miyagi Cancer Center Research Institute Curated by ChEMBL					Assay Description Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate				Antimicrob Agents Chemother 52: 3484-91 (2008) Article DOI: 10.1128/AAC.00344-08 BindingDB Entry DOI: 10.7270/Q2BR8T42
Miyagi Cancer Center Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (441/469 = 94%)^† (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Manufacturing Curated by ChEMBL					Assay 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...				J Med Chem 61: 1921-1933 (2018) Article DOI: 10.1021/acs.jmedchem.7b01467 BindingDB Entry DOI: 10.7270/Q2ST7S97
CSIRO Manufacturing Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (452/469 = 96%)^† (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4934 ((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	6.5	37
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
Glaxo Wellcome Research and Development Limited					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (436/469 = 93%)^† (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22.9	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
The Genomics Research Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (441/469 = 94%)^† (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
CSIRO Manufacturing Curated by ChEMBL					Assay 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...				J Med Chem 61: 1921-1933 (2018) Article DOI: 10.1021/acs.jmedchem.7b01467 BindingDB Entry DOI: 10.7270/Q2ST7S97
CSIRO Manufacturing Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (469/469 = 100%)^† (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins				Bioorg Med Chem 22: 2236-43 (2014) Article DOI: 10.1016/j.bmc.2014.02.014 BindingDB Entry DOI: 10.7270/Q22F7PZ6
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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Change energy units to: kcal/mole

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output