BDBM230867 US10045974, 14::US10603310, Compound 14::US9346797, 14::US9346797, 3

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F

InChI Key: InChIKey=ZQKVKDGKIDOTQN-SFHVURJKSA-N

Data: 6 KI

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 = 230867   

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))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-11.0	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-11.0	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020)
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	-10.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10045974 (2018) BindingDB Entry DOI: 10.7270/Q2T72KF3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US10603310 (2020)
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM230867 (US10045974, 14 | US10603310, Compound 14 | US93467...) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21| Show InChI InChI=1S/C18H16F5N5O2/c1-30-14-8-25-12(7-26-14)15(29)27-9-2-3-11(19)10(6-9)18(16(20)21)17(22,23)5-4-13(24)28-18/h2-3,6-8,16H,4-5H2,1H3,(H2,24,28)(H,27,29)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18	-10.6	n/a	n/a	n/a	n/a	n/a	4.5	25
H. Lundbeck A/S US Patent					Assay Description The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...				US Patent US9346797 (2016) BindingDB Entry DOI: 10.7270/Q25T3JC4
					More data for this Ligand-Target Pair