BDBM136788 US10231967, Example 30d::US8865911, 30d::US9918985, Example 30d

SMILES: COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1

InChI Key: InChIKey=RVZQCFAUGDSGAA-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 136788   

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))	BDBM136788 (US10231967, Example 30d | US8865911, 30d | US99189...) Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)| Show InChI InChI=1S/C22H23ClN4O2/c1-13-20(24)27-22(26-13)18-10-14(15-9-16(23)12-25-11-15)3-4-19(18)29-21(22)7-5-17(28-2)6-8-21/h3-4,9-12,17H,5-8H2,1-2H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	9.2	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...				US Patent US8865911 (2014) BindingDB Entry DOI: 10.7270/Q2T72G4T
					More data for this Ligand-Target Pair
Beta-secretase 1 (aa 1-460) (Homo sapiens (Human))	BDBM136788 (US10231967, Example 30d | US8865911, 30d | US99189...) Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)| Show InChI InChI=1S/C22H23ClN4O2/c1-13-20(24)27-22(26-13)18-10-14(15-9-16(23)12-25-11-15)3-4-19(18)29-21(22)7-5-17(28-2)6-8-21/h3-4,9-12,17H,5-8H2,1-2H3,(H2,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center					Assay Description The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL) and the substrate (Europium)CEVNLDAEFK(Qsy7) to 200 nM (stock 120 μM) ...				J Med Chem 50: 3906-20 (2007) BindingDB Entry DOI: 10.7270/Q2CR5WP7
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM136788 (US10231967, Example 30d | US8865911, 30d | US99189...) Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)| Show InChI InChI=1S/C22H23ClN4O2/c1-13-20(24)27-22(26-13)18-10-14(15-9-16(23)12-25-11-15)3-4-19(18)29-21(22)7-5-17(28-2)6-8-21/h3-4,9-12,17H,5-8H2,1-2H3,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at −140° C. at a ...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2RF5X91
					More data for this Ligand-Target Pair
Beta-Secretase (AA 1-460) (Homo sapiens (Human))	BDBM136788 (US10231967, Example 30d | US8865911, 30d | US99189...) Show SMILES COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)| Show InChI InChI=1S/C22H23ClN4O2/c1-13-20(24)27-22(26-13)18-10-14(15-9-16(23)12-25-11-15)3-4-19(18)29-21(22)7-5-17(28-2)6-8-21/h3-4,9-12,17H,5-8H2,1-2H3,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bari					Assay Description The β-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human β-Secretase (AA 1-AA 460) was...				J Med Chem 50: 4214-21 (2007) BindingDB Entry DOI: 10.7270/Q2RF5X91
					More data for this Ligand-Target Pair