BDBM147155 US8957083, 31

SMILES: CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1

InChI Key: InChIKey=LFHRVTJUXIOETI-GDLZYMKVSA-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 = 147155   

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))	BDBM147155 (US8957083, 31) Show SMILES CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 |r,t:24,36| Show InChI InChI=1S/C29H23FN4O3/c1-3-4-17-11-21(16-32-15-17)19-5-6-25-22(12-19)29(27(35)34(2)28(31)33-29)23-13-20(14-24(30)26(23)37-25)18-7-9-36-10-8-18/h5-7,11-16H,8-10H2,1-2H3,(H2,31,33)/t29-/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	179	n/a	n/a	n/a	n/a	4.2	n/a
Amgen Inc. US Patent					Assay Description The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...				US Patent US8957083 (2015) BindingDB Entry DOI: 10.7270/Q25Q4TS5
					More data for this Ligand-Target Pair