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Compile Data Set for Download or QSAR

Found 8 hits of ic50 data for polymerid = 50000545   
Target
(Institution)
LigandTarget
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
Gamma-secretase


(Homo sapiens)
BDBM50393452
PNG
(CHEMBL2159511)
Show SMILES CS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393453
PNG
(CHEMBL2159510)
Show SMILES CCS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF2O6S2/c1-2-32(26,27)12-9-19-16-13-31-21-18(25)8-7-17(24)20(21)22(16,10-11-30-19)33(28,29)15-5-3-14(23)4-6-15/h3-8,16,19H,2,9-13H2,1H3/t16-,19-,22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393454
PNG
(CHEMBL2159509)
Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393457
PNG
(CHEMBL2159689)
Show SMILES CNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClF2NO6S/c1-26-21(27)31-10-8-18-15-12-32-20-17(25)7-6-16(24)19(20)22(15,9-11-30-18)33(28,29)14-4-2-13(23)3-5-14/h2-7,15,18H,8-12H2,1H3,(H,26,27)/t15-,18-,22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393451
PNG
(CHEMBL2159687)
Show SMILES OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClF2O5S/c21-12-1-3-13(4-2-12)29(25,26)20-8-10-27-17(7-9-24)14(20)11-28-19-16(23)6-5-15(22)18(19)20/h1-6,14,17,24H,7-11H2/t14-,17-,20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393454
PNG
(CHEMBL2159509)
Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393455
PNG
(CHEMBL2159691)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClF2NO4S/c22-13-3-5-14(6-4-13)30(26,27)21-9-11-28-18(2-1-10-25)15(21)12-29-20-17(24)8-7-16(23)19(20)21/h3-8,15,18H,1-2,9,11-12H2/t15-,18-,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair
Gamma-secretase


(Homo sapiens)
BDBM50393456
PNG
(CHEMBL2159690)
Show SMILES CCNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClF2NO6S/c1-2-27-22(28)32-11-9-19-16-13-33-21-18(26)8-7-17(25)20(21)23(16,10-12-31-19)34(29,30)15-5-3-14(24)4-6-15/h3-8,16,19H,2,9-13H2,1H3,(H,27,28)/t16-,19-,23-/m0/s1
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Article
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS2 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-42 production


Citation and Details
More data for this
Ligand-Target Pair