Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 468.5 BDBM474375

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM474375 ((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...) Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...				US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase ()	BDBM474375 ((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...) Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM474375 ((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...) Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r| Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10858366 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RDJ
					More data for this Ligand-Target Pair