BDBM5010 (3R,4R,5S)-3-butoxy-5-carbamimidamido-4-acetamidocyclohex-1-ene-1-carboxylic acid::(3R,4R,5S)-4-Acetamido-5-guanidinyl-3-butoxy-1-cyclohexene-1-carboxylic acid::Carbocyclic Analogue 60

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

InChI Key: InChIKey=KSPORGXVFPIYIQ-QJPTWQEYSA-N

Data: 2 IC50

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 2 hits for monomerid = 5010   

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
Sialidase (Clostridium perfringens)	BDBM5010 ((3R,4R,5S)-3-butoxy-5-carbamimidamido-4-acetamidoc...) Show SMILES CCCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C14H24N4O4/c1-3-4-5-22-11-7-9(13(20)21)6-10(18-14(15)16)12(11)17-8(2)19/h7,10-12H,3-6H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11+,12+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as subst...				Bioorg Med Chem Lett 27: 5429-5435 (2017) Article DOI: 10.1016/j.bmcl.2017.11.003 BindingDB Entry DOI: 10.7270/Q2QZ2DJP
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5010 ((3R,4R,5S)-3-butoxy-5-carbamimidamido-4-acetamidoc...) Show SMILES CCCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C14H24N4O4/c1-3-4-5-22-11-7-9(13(20)21)6-10(18-14(15)16)12(11)17-8(2)19/h7,10-12H,3-6H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences 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 41: 2451-60 (1998) Article DOI: 10.1021/jm980162u BindingDB Entry DOI: 10.7270/Q2MP51GP
					More data for this Ligand-Target Pair