null

SMILES: CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(NC(=O)c1ccccc1)=N2)c1ncc(F)cn1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 589185   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM589185 (US11548903, Example 117) Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(NC(=O)c1ccccc1)=N2)c1ncc(F)cn1 |r,c:41| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.287	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP2882
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM589185 (US11548903, Example 117) Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(NC(=O)c1ccccc1)=N2)c1ncc(F)cn1 |r,c:41| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP2882
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM589185 (US11548903, Example 117) Show SMILES CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(NC(=O)c1ccccc1)=N2)c1ncc(F)cn1 |r,c:41| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2NP2882
					More data for this Ligand-Target Pair