BDBM50028516 CHEMBL3342478

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=BXGDHYRLQOHUCE-JIMJEQGWSA-N

Data: 4 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 4 hits for monomerid = 50028516   

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)	BDBM50028516 (CHEMBL3342478) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/chicken/china/1220/2012(H5N1) Neuraminidase N1				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028516 (CHEMBL3342478) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028516 (CHEMBL3342478) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028516 (CHEMBL3342478) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair