BDBM123869 US8748418, 14

SMILES: CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCc4cc(Cl)cnc34)ccc2F)C1(F)F

InChI Key: InChIKey=QEQRMWYXLWHPTH-FBLFFUNLSA-N

Data: 2 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 2 hits for monomerid = 123869   

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 2 (Homo sapiens (Human))	BDBM123869 (US8748418, 14) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCc4cc(Cl)cnc34)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C22H24ClF3N4O/c1-20(2)22(25,26)21(3,30-18(27)11-31-20)15-9-14(5-6-16(15)24)29-17-7-4-12-8-13(23)10-28-19(12)17/h5-6,8-10,17,29H,4,7,11H2,1-3H3,(H2,27,30)/t17?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM123869 (US8748418, 14) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCc4cc(Cl)cnc34)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C22H24ClF3N4O/c1-20(2)22(25,26)21(3,30-18(27)11-31-20)15-9-14(5-6-16(15)24)29-17-7-4-12-8-13(23)10-28-19(12)17/h5-6,8-10,17,29H,4,7,11H2,1-3H3,(H2,27,30)/t17?,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	4.5	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The FRET assay was performed essentially as described in Gruninger-Leitch et al., Journal of Biological Chemistry (2002) 277(7) 4687-93 (Substrate an...				US Patent US8748418 (2014) BindingDB Entry DOI: 10.7270/Q2C53JJP
					More data for this Ligand-Target Pair