BDBM482732 US10919856, CONTRAST EXAMPLE 2

SMILES: CCOC[C@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O

InChI Key: InChIKey=ADFFMMSLFBUQFU-QMCVQRASSA-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 = 482732   

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 [H274Y] (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM482732 (US10919856, CONTRAST EXAMPLE 2) Show SMILES CCOC[C@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:12| Show InChI InChI=1S/C17H29N3O4/c1-3-23-10-13-5-4-6-20(9-13)16-8-14(24-11-21)7-15(18)17(16)19-12(2)22/h8,11,13,15-17H,3-7,9-10,18H2,1-2H3,(H,19,22)/t13-,15-,16+,17+/m0/s1	MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. US Patent					Assay Description Experimental materials:NA (neuraminidase) solution: allantoic fluid of chicken embryo infected by influenza virus;Enzyme catalyzed reaction system: ...				US Patent US10919856 (2021)
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Tokyo/3/67(H2N2)))	BDBM482732 (US10919856, CONTRAST EXAMPLE 2) Show SMILES CCOC[C@H]1CCCN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)OC=O |r,c:12| Show InChI InChI=1S/C17H29N3O4/c1-3-23-10-13-5-4-6-20(9-13)16-8-14(24-11-21)7-15(18)17(16)19-12(2)22/h8,11,13,15-17H,3-7,9-10,18H2,1-2H3,(H,19,22)/t13-,15-,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
GUANGZHOU HENOVCOM BIOSCIENCE CO. LTD. US Patent					Assay Description Experimental materials:NA (neuraminidase) solution: allantoic fluid of chicken embryo infected by influenza virus;Enzyme catalyzed reaction system: ...				US Patent US10919856 (2021)
					More data for this Ligand-Target Pair