null

SMILES: C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F

InChI Key: InChIKey=ASUXJKFZYWODQA-QWQRMKEZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50462006   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50462006 (CHEMBL4226730) Show SMILES C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2| Show InChI InChI=1S/C18H16F5N5O2/c1-18(14(21)13(5-19)30-17(24)28-18)9-4-8(2-3-10(9)20)27-16(29)12-7-25-11(6-26-12)15(22)23/h2-4,6-7,13-15H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,14+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 15 mins in presence of NADPH by LC-MS/MS analysis				J Med Chem 61: 5525-5546 (2018) Article DOI: 10.1021/acs.jmedchem.8b00011 BindingDB Entry DOI: 10.7270/Q2SB48DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50462006 (CHEMBL4226730) Show SMILES C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2| Show InChI InChI=1S/C18H16F5N5O2/c1-18(14(21)13(5-19)30-17(24)28-18)9-4-8(2-3-10(9)20)27-16(29)12-7-25-11(6-26-12)15(22)23/h2-4,6-7,13-15H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,14+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...				J Med Chem 61: 5525-5546 (2018) Article DOI: 10.1021/acs.jmedchem.8b00011 BindingDB Entry DOI: 10.7270/Q2SB48DD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50462006 (CHEMBL4226730) Show SMILES C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2| Show InChI InChI=1S/C18H16F5N5O2/c1-18(14(21)13(5-19)30-17(24)28-18)9-4-8(2-3-10(9)20)27-16(29)12-7-25-11(6-26-12)15(22)23/h2-4,6-7,13-15H,5H2,1H3,(H2,24,28)(H,27,29)/t13-,14+,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21(DE3) using Biotin-epsilon-amino-n-capronic acid-SEVNLDA...				J Med Chem 61: 5525-5546 (2018) Article DOI: 10.1021/acs.jmedchem.8b00011 BindingDB Entry DOI: 10.7270/Q2SB48DD
					More data for this Ligand-Target Pair