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BDBM50042287 CHEMBL3361304

SMILES: CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cn1nc(C)cc1C)C(C)C

InChI Key: InChIKey=BYGMMEFZVPOQSO-QYCYNUJFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042287   
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))		BDBM50042287
PNG
(CHEMBL3361304)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cn1nc(C)cc1C)C(C)C |r|
Show InChI InChI=1S/C36H65N7O7/c1-20(2)14-27(29(44)15-23(7)31(45)41-30(22(5)6)34(48)37-17-21(3)4)39-33(47)28(18-38-35(49)50-36(11,12)13)40-32(46)24(8)19-43-26(10)16-25(9)42-43/h16,20-24,27-30,44H,14-15,17-19H2,1-13H3,(H,37,48)(H,38,49)(H,39,47)(H,40,46)(H,41,45)/t23-,24-,27+,28+,29+,30+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.64E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin)

Bioorg Med Chem Lett 25: 668-72 (2015)


Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J
More data for this
Ligand-Target Pair