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(ccc1N2C(=O)CCC2(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 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus)	BDBM50078329 (4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50078329 (4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50078329 (4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50078329 (4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (A/Udorn/307/1972(H3N2)))	BDBM50078329 (4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza B virus (B/Lee/40))	BDBM50078329 (4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair