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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform D of Beta-secretase 1 (BACE-I-432)' and Ligand = 'BDBM223377'   
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
Isoform D of Beta-secretase 1 (BACE-I-432)


(Homo sapiens (Human))		BDBM223377
PNG
(US9315520, 92 | US9605007, Example 92)
Show SMILES CC#CCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:30|
Show InChI InChI=1S/C19H22N6O2S2/c1-3-4-6-25-7-5-14(24-25)16(26)21-15-10-28-17(22-15)19-11-27-12(2)8-13(19)9-29-18(20)23-19/h5,7,10,12-13H,6,8-9,11H2,1-2H3,(H2,20,23)(H,21,26)/t12-,13-,19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 82n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...

US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair