BDBM50028514 CHEMBL3342477

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

InChI Key: InChIKey=OZNFTOQCIJNMRA-MRUDLTSASA-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 = 50028514   

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)	BDBM50028514 (CHEMBL3342477) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C23H32N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-12,15,19-22,24H,4-5,13-14H2,1-3H3,(H,25,26)(H,27,28)/b12-9+/t20-,21+,22+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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))	BDBM50028514 (CHEMBL3342477) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C23H32N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-12,15,19-22,24H,4-5,13-14H2,1-3H3,(H,25,26)(H,27,28)/b12-9+/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.23E+3	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))	BDBM50028514 (CHEMBL3342477) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C23H32N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-12,15,19-22,24H,4-5,13-14H2,1-3H3,(H,25,26)(H,27,28)/b12-9+/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	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))	BDBM50028514 (CHEMBL3342477) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C23H32N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-12,15,19-22,24H,4-5,13-14H2,1-3H3,(H,25,26)(H,27,28)/b12-9+/t20-,21+,22+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	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