BDBM136740 US8865911, 20e Isomer 1

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1

InChI Key: InChIKey=XSPYGYYSPGDIRH-VJBMBRPKSA-N

Data: 1 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 1 hit for monomerid = 136740   

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))	BDBM136740 (US8865911, 20e Isomer 1) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)| Show InChI InChI=1S/C23H25ClN4O/c1-14-21(25)28-23(27-14)20-10-15(17-9-18(24)13-26-12-17)3-4-16(20)11-22(23)7-5-19(29-2)6-8-22/h3-4,9-10,12-13,19H,5-8,11H2,1-2H3,(H2,25,28)/t19-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	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
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