BDBM50028504 CHEMBL3342467

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

InChI Key: InChIKey=UVEYGLMSNYNFPA-IPMKNSEASA-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 = 50028504   

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)	BDBM50028504 (CHEMBL3342467) Show SMILES CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C20H36N2O4/c1-6-14(7-2)12-21-17-10-15(20(24)25)11-18(19(17)22-13(5)23)26-16(8-3)9-4/h11,14,16-19,21H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t17-,18+,19+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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))	BDBM50028504 (CHEMBL3342467) Show SMILES CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C20H36N2O4/c1-6-14(7-2)12-21-17-10-15(20(24)25)11-18(19(17)22-13(5)23)26-16(8-3)9-4/h11,14,16-19,21H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t17-,18+,19+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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/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))	BDBM50028504 (CHEMBL3342467) Show SMILES CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C20H36N2O4/c1-6-14(7-2)12-21-17-10-15(20(24)25)11-18(19(17)22-13(5)23)26-16(8-3)9-4/h11,14,16-19,21H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t17-,18+,19+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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))	BDBM50028504 (CHEMBL3342467) Show SMILES CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:9| Show InChI InChI=1S/C20H36N2O4/c1-6-14(7-2)12-21-17-10-15(20(24)25)11-18(19(17)22-13(5)23)26-16(8-3)9-4/h11,14,16-19,21H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t17-,18+,19+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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