BDBM50028508 CHEMBL3342471

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=QRMRMLPSHCIGNI-XUVXKRRUSA-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 = 50028508   

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)	BDBM50028508 (CHEMBL3342471) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C21H30N2O4/c1-4-17(5-2)27-19-12-16(21(25)26)11-18(20(19)23-14(3)24)22-13-15-9-7-6-8-10-15/h6-10,12,17-20,22H,4-5,11,13H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+,20+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	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))	BDBM50028508 (CHEMBL3342471) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C21H30N2O4/c1-4-17(5-2)27-19-12-16(21(25)26)11-18(20(19)23-14(3)24)22-13-15-9-7-6-8-10-15/h6-10,12,17-20,22H,4-5,11,13H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	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))	BDBM50028508 (CHEMBL3342471) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C21H30N2O4/c1-4-17(5-2)27-19-12-16(21(25)26)11-18(20(19)23-14(3)24)22-13-15-9-7-6-8-10-15/h6-10,12,17-20,22H,4-5,11,13H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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/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))	BDBM50028508 (CHEMBL3342471) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C21H30N2O4/c1-4-17(5-2)27-19-12-16(21(25)26)11-18(20(19)23-14(3)24)22-13-15-9-7-6-8-10-15/h6-10,12,17-20,22H,4-5,11,13H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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