Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.4 BDBM227993

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

Found 2 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
Beta-secretase 2 (Homo sapiens (Human))	BDBM227993 (US10047098, 24) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C21H26FN3O3/c1-25-19(26)16-9-18(13-4-5-13)28-11-21(16,24-20(25)23)15-8-14(6-7-17(15)22)27-10-12-2-3-12/h6-8,12-13,16,18H,2-5,9-11H2,1H3,(H2,23,24)/t16-,18+,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM227993 (US10047098, 24) Show SMILES CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2)ccc1F |r| Show InChI InChI=1S/C21H26FN3O3/c1-25-19(26)16-9-18(13-4-5-13)28-11-21(16,24-20(25)23)15-8-14(6-7-17(15)22)27-10-12-2-3-12/h6-8,12-13,16,18H,2-5,9-11H2,1H3,(H2,23,24)/t16-,18+,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair