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BDBM50110909 CHEMBL3604597

SMILES: CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O

InChI Key: InChIKey=RHVUALANAPWYEJ-NNPJTBSKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110909   
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))		BDBM50110909
PNG
(CHEMBL3604597)
Show SMILES CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
Show InChI InChI=1S/C33H53N5O9S/c1-4-10-23(33(46)47)35-32(45)28(41)24(17-20-11-7-6-8-12-20)36-30(43)25(18-21-13-9-16-48-21)37-31(44)27(19(3)5-2)38-29(42)22(34)14-15-26(39)40/h9,13,16,19-20,22-25,27-28,41H,4-8,10-12,14-15,17-18,34H2,1-3H3,(H,35,45)(H,36,43)(H,37,44)(H,38,42)(H,39,40)(H,46,47)/t19-,22-,23-,24-,25-,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 6.40E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE1 (unknown origin) incubated for 80 mins using [H-Ile-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Arg-His-A...

Bioorg Med Chem 23: 5626-40 (2015)


BindingDB Entry DOI: 10.7270/Q28W3G3B
More data for this
Ligand-Target Pair