BDBM50078329 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE::1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one::4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid::CHEMBL307189

SMILES: CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O

InChI Key: InChIKey=BNIJJJRESBVRNB-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50078329   

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 A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50078329 (1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...) Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against H1N9 Influenza A Neuraminidase.				J Med Chem 42: 2332-43 (1999) Article DOI: 10.1021/jm980707k BindingDB Entry DOI: 10.7270/Q25B01NJ
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM50078329 (1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...) Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB Article PubMed	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against B/Lee/40 Influenza B Neuraminidase.				J Med Chem 42: 2332-43 (1999) Article DOI: 10.1021/jm980707k BindingDB Entry DOI: 10.7270/Q25B01NJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50078329 (1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...) Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of influenza virus neuraminidase				Eur J Med Chem 43: 569-76 (2008) Article DOI: 10.1016/j.ejmech.2007.04.011 BindingDB Entry DOI: 10.7270/Q2C53PNP
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Udorn/307/1972 H3N2))	BDBM50078329 (1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...) Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/udorn/1972(H3N2)) neuraminidase using fluorogenic substrate 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic a...				Bioorg Med Chem 20: 4582-9 (2012) Article DOI: 10.1016/j.bmc.2012.05.001 BindingDB Entry DOI: 10.7270/Q28S4QZS
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM50078329 (1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...) Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB Article PubMed	n/a	n/a	2.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of Influenza B virus (B/Lee/1940) neuraminidase using fluorogenic substrate 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid prei...				Bioorg Med Chem 20: 4582-9 (2012) Article DOI: 10.1016/j.bmc.2012.05.001 BindingDB Entry DOI: 10.7270/Q28S4QZS
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50078329 (1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...) Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alabama at Birmingham Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase using fluorogenic substrate 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem 20: 4582-9 (2012) Article DOI: 10.1016/j.bmc.2012.05.001 BindingDB Entry DOI: 10.7270/Q28S4QZS
					More data for this Ligand-Target Pair