BDBM5024 (-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-{[amino(imino)methyl]amino}-2-hydroxycyclopentanecarboxylic Acid::(1S,2S,3R,4R)-4-carbamimidamido-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid::BCX-1812

SMILES: [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O

InChI Key: InChIKey=XRQDFNLINLXZLB-CKIKVBCHSA-N

Data: 2 KI  5 IC50

PDB links: 5 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 5024   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem Lett 21: 7137-41 (2011) Article DOI: 10.1016/j.bmcl.2011.09.076 BindingDB Entry DOI: 10.7270/Q2WW7J4Q
					More data for this Ligand-Target Pair
Sialidase 2 (Homo sapiens (Human))	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 2				J Med Chem 53: 2998-3002 (2010) Article DOI: 10.1021/jm100078r BindingDB Entry DOI: 10.7270/Q2N58NBM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase B (Influenza B virus (B/Victoria/70))	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	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
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem Lett 21: 7137-41 (2011) Article DOI: 10.1016/j.bmcl.2011.09.076 BindingDB Entry DOI: 10.7270/Q2WW7J4Q
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virus				J Med Chem 43: 3482-6 (2000) BindingDB Entry DOI: 10.7270/Q2Q81DSJ
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza B virus.				J Med Chem 43: 3482-6 (2000) BindingDB Entry DOI: 10.7270/Q2Q81DSJ
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1	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
					More data for this Ligand-Target Pair