BindingDB PrimarySearch

BDBM4707 3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate::3-carbamimidamido-4-acetamidobenzoic acid::4-Acetylamino-3-guanidino-benzoic acid::4-acetamido-3-(diaminomethyleneamino)benzoic acid::BANA 113::CHEMBL55440

SMILES: [#6]-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=UDQJOWCVSMIZJP-UHFFFAOYSA-N

Data: 1 KI 6 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 4707
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against B/Lee/40 Influenza B Neuraminidase.				J Med Chem 42: 2332-43 (1999) Article DOI: 10.1021/jm980707k BindingDB Entry DOI: 10.7270/Q25B01NJ
University of Alabama at Birmingham Curated by ChEMBL					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Memphis/3/89))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 9: 1901-6 (1999) Article DOI: 10.1016/s0960-894x(99)00318-2 BindingDB Entry DOI: 10.7270/Q2T72FN4
University of Alabama at Birmingham					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (N9))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 9: 1901-6 (1999) Article DOI: 10.1016/s0960-894x(99)00318-2 BindingDB Entry DOI: 10.7270/Q2T72FN4
University of Alabama at Birmingham					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (N9))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	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 40: 4030-52 (1997) Article DOI: 10.1021/jm970479e BindingDB Entry DOI: 10.7270/Q2X63K41
BioCryst Pharmaceuticals, Inc.					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (N9))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	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...				Bioorg Med Chem 13: 2665-78 (2005) Article DOI: 10.1016/j.bmc.2005.01.042 BindingDB Entry DOI: 10.7270/Q2SF2TD9
BioCryst Pharmaceuticals, Inc.					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 7: 2487-97 (1999) Article DOI: 10.1016/s0968-0896(99)00197-2 BindingDB Entry DOI: 10.7270/Q2Z036CV
University of Alabama at Birmingham					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM4707 (3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate \|...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	6.5	37
University of Alabama at Birmingham					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 9: 1901-6 (1999) Article DOI: 10.1016/s0960-894x(99)00318-2 BindingDB Entry DOI: 10.7270/Q2T72FN4
University of Alabama at Birmingham					More data for this Ligand-Target Pair