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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50329549   
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))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
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Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
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Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of renin by FRET assay


Bioorg Med Chem Lett 20: 6597-605 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF
More data for this
Ligand-Target Pair