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6 similar compounds to monomer 93325

Compile data set for download or QSAR
Wt: 620.7
BDBM93326
Wt: 650.7
BDBM93327
Wt: 634.7
BDBM93328
Wt: 616.7
BDBM93329
Wt: 636.7
BDBM93330
Wt: 596.6
BDBM93331

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 93326,93327,93328,93329,93330,93331   
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 amyloid A4 protein


(Homo sapiens (Human))
BDBM93326
PNG
(Carbamate {3,19}, 2)
Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C31H39F3N4O4S/c32-23-6-3-5-22(19-23)28-7-4-8-29(38(28)21-43(40,41)25-9-10-26(33)27(34)20-25)31(13-14-31)42-30(39)35-37-17-11-24(12-18-37)36-15-1-2-16-36/h3,5-6,9-10,19-20,24,28-29H,1-2,4,7-8,11-18,21H2,(H,35,39)/t28?,29-/m1/s1
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Article
PubMed
n/an/a 6.10n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM93327
PNG
(Carbamate {5,21}, 3)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N(CCO)CCO)c1cccc(F)c1
Show InChI InChI=1S/C32H44F2N4O6S/c1-23-8-9-27(21-28(23)34)45(42,43)22-38-29(24-4-2-5-25(33)20-24)6-3-7-30(38)32(12-13-32)44-31(41)35-37-14-10-26(11-15-37)36(16-18-39)17-19-40/h2,4-5,8-9,20-21,26,29-30,39-40H,3,6-7,10-19,22H2,1H3,(H,35,41)/t29?,30-/m1/s1
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PubMed
n/an/a 7.20n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM93331
PNG
(Carbamate {3,13}, 7)
Show SMILES OCCN1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H35F3N4O5S/c29-21-4-1-3-20(17-21)25-5-2-6-26(35(25)19-41(38,39)22-7-8-23(30)24(31)18-22)28(9-10-28)40-27(37)32-34-13-11-33(12-14-34)15-16-36/h1,3-4,7-8,17-18,25-26,36H,2,5-6,9-16,19H2,(H,32,37)/t25?,26-/m1/s1
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PubMed
n/an/a 9.80n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM93329
PNG
(Carbamate {5,19}, 5)
Show SMILES Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1)c1cccc(F)c1
Show InChI InChI=1S/C32H42F2N4O4S/c1-23-10-11-27(21-28(23)34)43(40,41)22-38-29(24-6-4-7-25(33)20-24)8-5-9-30(38)32(14-15-32)42-31(39)35-37-18-12-26(13-19-37)36-16-2-3-17-36/h4,6-7,10-11,20-21,26,29-30H,2-3,5,8-9,12-19,22H2,1H3,(H,35,39)/t29?,30-/m1/s1
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n/an/a 7.5n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM93330
PNG
(Carbamate {1,21}, 6)
Show SMILES OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C31H42F2N4O6S/c32-24-5-1-4-23(20-24)28-8-3-9-29(37(28)22-44(41,42)27-7-2-6-25(33)21-27)31(12-13-31)43-30(40)34-36-14-10-26(11-15-36)35(16-18-38)17-19-39/h1-2,4-7,20-21,26,28-29,38-39H,3,8-19,22H2,(H,34,40)/t28?,29-/m1/s1
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n/an/a 8.20n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM93328
PNG
(Carbamate {3,17}, 4)
Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C32H41F3N4O4S/c33-24-7-4-6-23(20-24)29-10-5-11-30(39(29)22-44(41,42)26-12-13-27(34)28(35)21-26)32(14-15-32)43-31(40)36-38-18-16-37(17-19-38)25-8-2-1-3-9-25/h4,6-7,12-13,20-21,25,29-30H,1-3,5,8-11,14-19,22H2,(H,36,40)/t29?,30-/m1/s1
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n/an/a 7.30n/an/an/an/a7.037



Schering-Plough Research Institute



Assay Description
Inhibition assay using gamma-secretase.


J Comb Chem 10: 56-62


Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P
More data for this
Ligand-Target Pair