BDBM123877 US8748418, 22

SMILES: CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(Cl)nc3)ccc2F)C1(F)F

InChI Key: InChIKey=ZHRCZUUYWIYZLZ-GOSISDBHSA-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 = 123877   

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))	BDBM123877 (US8748418, 22) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(Cl)nc3)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C19H20ClF3N4O/c1-17(2)19(22,23)18(3,27-16(24)10-28-17)13-8-11(4-6-14(13)21)26-12-5-7-15(20)25-9-12/h4-9,26H,10H2,1-3H3,(H2,24,27)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.77E+3	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))	BDBM123877 (US8748418, 22) Show SMILES CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(Cl)nc3)ccc2F)C1(F)F |r,c:6| Show InChI InChI=1S/C19H20ClF3N4O/c1-17(2)19(22,23)18(3,27-16(24)10-28-17)13-8-11(4-6-14(13)21)26-12-5-7-15(20)25-9-12/h4-9,26H,10H2,1-3H3,(H2,24,27)/t18-/m1/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	370	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