BDBM123872 US8748418, 17

SMILES: CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)ccc34)ccc2F)C1(F)F

InChI Key: InChIKey=ONHMGVGQADMHCB-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 = 123872   

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))	BDBM123872 (US8748418, 17) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)ccc34)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C22H23ClF3N3O2/c1-20(2)22(25,26)21(3,29-19(27)11-31-20)15-9-13(5-7-16(15)24)28-17-10-30-18-8-12(23)4-6-14(17)18/h4-9,17,28H,10-11H2,1-3H3,(H2,27,29)/t17?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	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))	BDBM123872 (US8748418, 17) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)ccc34)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C22H23ClF3N3O2/c1-20(2)22(25,26)21(3,29-19(27)11-31-20)15-9-13(5-7-16(15)24)28-17-10-30-18-8-12(23)4-6-14(17)18/h4-9,17,28H,10-11H2,1-3H3,(H2,27,29)/t17?,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	320	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