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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50108553'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))		BDBM50108553
PNG
(4-(2-{2-[4-(2-Amino-3-carbamoyl-propionylamino)-3-...)
Show SMILES CC(C)CC(NC(=O)[C@@H](N)CC(N)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H53N7O11/c1-17(2)13-23(39-31(48)21(35)15-26(36)43)25(42)16-27(44)41-29(18(3)4)33(50)37-19(5)30(47)38-22(11-12-28(45)46)32(49)40-24(34(51)52)14-20-9-7-6-8-10-20/h6-10,17-19,21-25,29,42H,11-16,35H2,1-5H3,(H2,36,43)(H,37,50)(H,38,47)(H,39,48)(H,40,49)(H,41,44)(H,45,46)(H,51,52)/t19-,21-,22-,23?,24-,25?,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay

J Med Chem 45: 259-62 (2002)


BindingDB Entry DOI: 10.7270/Q23F4QC5
More data for this
Ligand-Target Pair