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Compile Data Set for Download or QSAR

Found 2 hits of ki for UniProtKB: P56817   
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 [22-457]


(Homo sapiens (Human))
BDBM32389
PNG
(phenyl-substituted sulfonamides, 6f)
Show SMILES Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1
Show InChI InChI=1S/C32H39N5O4S2/c33-29-13-17-31(18-14-29)42(38,39)36(25-27-9-3-1-4-10-27)23-7-21-35-22-8-24-37(26-28-11-5-2-6-12-28)43(40,41)32-19-15-30(34)16-20-32/h1-6,9-20,35H,7-8,21-26,33-34H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.40E+4 -5.72n/an/an/an/an/an/a25



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)


Article DOI: 10.1016/j.bmc.2008.08.012
BindingDB Entry DOI: 10.7270/Q2639N2P
More data for this
Ligand-Target Pair
Beta-secretase 1 [22-457]


(Homo sapiens (Human))
BDBM32386
PNG
(phenyl-substituted sulfonamides, 6c)
Show SMILES O=S(=O)(N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H37N3O4S2/c36-40(37,31-19-9-3-10-20-31)34(27-29-15-5-1-6-16-29)25-13-23-33-24-14-26-35(28-30-17-7-2-8-18-30)41(38,39)32-21-11-4-12-22-32/h1-12,15-22,33H,13-14,23-28H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+5 -5.21n/an/an/an/an/an/a25



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)


Article DOI: 10.1016/j.bmc.2008.08.012
BindingDB Entry DOI: 10.7270/Q2639N2P
More data for this
Ligand-Target Pair