BindingDB logo
myBDB logout

null

SMILES: OC1=NC(=NC2CCCCC2)C2(CCN(Cc3cccc(c3)-c3ccccc3)CC2)N1c1cccc(F)c1

InChI Key: InChIKey=JPHRZSOAJYCXBN-UHFFFAOYSA-N

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 = 25362   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM25362
PNG
(4-(cyclohexylamino)-1-(3-fluorophenyl)-8-[(3-pheny...)
Show SMILES OC1=NC(=NC2CCCCC2)C2(CCN(Cc3cccc(c3)-c3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
Show InChI InChI=1S/C32H35FN4O/c33-27-13-8-16-29(22-27)37-31(38)35-30(34-28-14-5-2-6-15-28)32(37)17-19-36(20-18-32)23-24-9-7-12-26(21-24)25-10-3-1-4-11-25/h1,3-4,7-13,16,21-22,28H,2,5-6,14-15,17-20,23H2,(H,34,35,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.60E+3n/an/an/an/a4.522



Merck Research Laboratories



Assay Description
The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. After the reaction was terminated, the solution wa...

J Med Chem 51: 6259-62 (2008)


Article DOI: 10.1021/jm800914n
BindingDB Entry DOI: 10.7270/Q2KS6PVK
More data for this
Ligand-Target Pair