Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50015043 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410179
(CHEMBL2096800)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C72H123N13O17/c1-28-42(13)52(76-56(88)48(38(5)6)74-57(89)49(39(7)8)78-63(95)69(19,20)82-46(86)35-73-55(87)47(37(3)4)81-67(99)102-68(16,17)18)61(93)84-71(23,24)65(97)80-54(44(15)101-36-45-33-31-30-32-34-45)59(91)75-51(41(11)12)60(92)83-70(21,22)64(96)79-50(40(9)10)58(90)77-53(43(14)29-2)62(94)85-72(25,26)66(98)100-27/h30-34,37-44,47-54H,28-29,35-36H2,1-27H3,(H,73,87)(H,74,89)(H,75,91)(H,76,88)(H,77,90)(H,78,95)(H,79,96)(H,80,97)(H,81,99)(H,82,86)(H,83,92)(H,84,93)(H,85,94)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410179
(CHEMBL2096800)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C72H123N13O17/c1-28-42(13)52(76-56(88)48(38(5)6)74-57(89)49(39(7)8)78-63(95)69(19,20)82-46(86)35-73-55(87)47(37(3)4)81-67(99)102-68(16,17)18)61(93)84-71(23,24)65(97)80-54(44(15)101-36-45-33-31-30-32-34-45)59(91)75-51(41(11)12)60(92)83-70(21,22)64(96)79-50(40(9)10)58(90)77-53(43(14)29-2)62(94)85-72(25,26)66(98)100-27/h30-34,37-44,47-54H,28-29,35-36H2,1-27H3,(H,73,87)(H,74,89)(H,75,91)(H,76,88)(H,77,90)(H,78,95)(H,79,96)(H,80,97)(H,81,99)(H,82,86)(H,83,92)(H,84,93)(H,85,94)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase from APP-transfected CHO cells |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410182
(CHEMBL2096799)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C67H114N12O16/c1-26-39(11)48(71-51(81)44(35(3)4)69-52(82)45(36(5)6)73-58(88)64(17,18)76-43(80)33-68-62(92)95-63(14,15)16)56(86)78-66(21,22)60(90)75-50(41(13)94-34-42-31-29-28-30-32-42)54(84)70-47(38(9)10)55(85)77-65(19,20)59(89)74-46(37(7)8)53(83)72-49(40(12)27-2)57(87)79-67(23,24)61(91)93-25/h28-32,35-41,44-50H,26-27,33-34H2,1-25H3,(H,68,92)(H,69,82)(H,70,84)(H,71,81)(H,72,83)(H,73,88)(H,74,89)(H,75,90)(H,76,80)(H,77,85)(H,78,86)(H,79,87)/t39-,40-,41+,44+,45-,46-,47-,48-,49-,50-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410183
(CHEMBL2096801)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C76H130N14O18/c1-30-44(13)54(80-58(93)50(40(5)6)78-59(94)51(41(7)8)83-65(100)72(19,20)86-48(91)37-77-57(92)49(39(3)4)82-68(103)75(25,26)90-70(105)108-71(16,17)18)63(98)88-74(23,24)67(102)85-56(46(15)107-38-47-35-33-32-34-36-47)61(96)79-53(43(11)12)62(97)87-73(21,22)66(101)84-52(42(9)10)60(95)81-55(45(14)31-2)64(99)89-76(27,28)69(104)106-29/h32-36,39-46,49-56H,30-31,37-38H2,1-29H3,(H,77,92)(H,78,94)(H,79,96)(H,80,93)(H,81,95)(H,82,103)(H,83,100)(H,84,101)(H,85,102)(H,86,91)(H,87,97)(H,88,98)(H,89,99)(H,90,105)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150691
(311951 | CHEMBL437635)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C82H141N15O19/c1-32-48(15)59(87-64(101)55(44(7)8)85-65(102)56(45(9)10)90-71(108)78(21,22)93-53(98)40-83-63(100)54(43(5)6)89-72(109)79(23,24)94-62(99)52(39-42(3)4)84-76(113)116-77(18,19)20)69(106)96-81(27,28)74(111)92-61(50(17)115-41-51-37-35-34-36-38-51)67(104)86-58(47(13)14)68(105)95-80(25,26)73(110)91-57(46(11)12)66(103)88-60(49(16)33-2)70(107)97-82(29,30)75(112)114-31/h34-38,42-50,52,54-61H,32-33,39-41H2,1-31H3,(H,83,100)(H,84,113)(H,85,102)(H,86,104)(H,87,101)(H,88,103)(H,89,109)(H,90,108)(H,91,110)(H,92,111)(H,93,98)(H,94,99)(H,95,105)(H,96,106)(H,97,107)/t48-,49-,50+,52-,54-,55-,56-,57-,58-,59-,60-,61-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150696
(CHEMBL436787 | methyl 2-[(2R,3R)-2-[(2R)-2-{2-[(2R...)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C61H104N10O14/c1-24-36(11)44(64-47(72)40(32(3)4)62-49(74)42(34(7)8)68-57(82)85-58(14,15)16)52(77)70-60(19,20)55(80)67-46(38(13)84-31-39-29-27-26-28-30-39)50(75)63-43(35(9)10)51(76)69-59(17,18)54(79)66-41(33(5)6)48(73)65-45(37(12)25-2)53(78)71-61(21,22)56(81)83-23/h26-30,32-38,40-46H,24-25,31H2,1-23H3,(H,62,74)(H,63,75)(H,64,72)(H,65,73)(H,66,79)(H,67,80)(H,68,82)(H,69,76)(H,70,77)(H,71,78)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150689
(311952 | CHEMBL411599)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C84H144N16O20/c1-32-49(15)61(90-66(105)57(45(7)8)88-67(106)58(46(9)10)93-73(112)80(21,22)96-55(102)41-85-65(104)56(44(5)6)92-74(113)81(23,24)97-64(103)53(39-43(3)4)87-54(101)40-86-78(117)120-79(18,19)20)71(110)99-83(27,28)76(115)95-63(51(17)119-42-52-37-35-34-36-38-52)69(108)89-60(48(13)14)70(109)98-82(25,26)75(114)94-59(47(11)12)68(107)91-62(50(16)33-2)72(111)100-84(29,30)77(116)118-31/h34-38,43-51,53,56-63H,32-33,39-42H2,1-31H3,(H,85,104)(H,86,117)(H,87,101)(H,88,106)(H,89,108)(H,90,105)(H,91,107)(H,92,113)(H,93,112)(H,94,114)(H,95,115)(H,96,102)(H,97,103)(H,98,109)(H,99,110)(H,100,111)/t49-,50-,51+,53-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410178
(CHEMBL2096802)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C65H111N11O15/c1-26-38(11)46(68-49(77)42(34(3)4)66-50(78)43(35(5)6)71-58(86)64(21,22)76-60(88)91-61(14,15)16)54(82)74-63(19,20)57(85)72-48(40(13)90-33-41-31-29-28-30-32-41)52(80)67-45(37(9)10)53(81)73-62(17,18)56(84)70-44(36(7)8)51(79)69-47(39(12)27-2)55(83)75-65(23,24)59(87)89-25/h28-32,34-40,42-48H,26-27,33H2,1-25H3,(H,66,78)(H,67,80)(H,68,77)(H,69,79)(H,70,84)(H,71,86)(H,72,85)(H,73,81)(H,74,82)(H,75,83)(H,76,88)/t38-,39-,40+,42-,43-,44-,45-,46-,47-,48-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150693
(CHEMBL415576 | methyl 2-[(2R)-2-[(2R,3S)-3-(benzyl...)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@H]([C@H](C)OCc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C57H96N10O14/c1-22-34(10)42(49(74)66-56(17,18)51(76)63-43(35(11)80-29-36-26-24-23-25-27-36)47(72)60-41(33(8)9)48(73)67-57(19,20)52(77)79-21)61-45(70)39(31(4)5)59-46(71)40(32(6)7)62-50(75)55(15,16)65-37(68)28-58-44(69)38(30(2)3)64-53(78)81-54(12,13)14/h23-27,30-35,38-43H,22,28-29H2,1-21H3,(H,58,69)(H,59,71)(H,60,72)(H,61,70)(H,62,75)(H,63,76)(H,64,78)(H,65,68)(H,66,74)(H,67,73)/t34-,35+,38-,39-,40-,41-,42-,43-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150690
(CHEMBL409305 | methyl 2-[(2S,3S)-2-[(2S)-2-{2-[(2S...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C67H114N12O16/c1-26-39(11)48(71-51(81)44(35(3)4)69-52(82)45(36(5)6)73-58(88)64(17,18)76-43(80)33-68-62(92)95-63(14,15)16)56(86)78-66(21,22)60(90)75-50(41(13)94-34-42-31-29-28-30-32-42)54(84)70-47(38(9)10)55(85)77-65(19,20)59(89)74-46(37(7)8)53(83)72-49(40(12)27-2)57(87)79-67(23,24)61(91)93-25/h28-32,35-41,44-50H,26-27,33-34H2,1-25H3,(H,68,92)(H,69,82)(H,70,84)(H,71,81)(H,72,83)(H,73,88)(H,74,89)(H,75,90)(H,76,80)(H,77,85)(H,78,86)(H,79,87)/t39-,40-,41+,44-,45-,46-,47-,48-,49-,50-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150688
(311440 | CHEMBL413823)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C72H123N13O17/c1-28-42(13)52(76-56(88)48(38(5)6)74-57(89)49(39(7)8)78-63(95)69(19,20)82-46(86)35-73-55(87)47(37(3)4)81-67(99)102-68(16,17)18)61(93)84-71(23,24)65(97)80-54(44(15)101-36-45-33-31-30-32-34-45)59(91)75-51(41(11)12)60(92)83-70(21,22)64(96)79-50(40(9)10)58(90)77-53(43(14)29-2)62(94)85-72(25,26)66(98)100-27/h30-34,37-44,47-54H,28-29,35-36H2,1-27H3,(H,73,87)(H,74,89)(H,75,91)(H,76,88)(H,77,90)(H,78,95)(H,79,96)(H,80,97)(H,81,99)(H,82,86)(H,83,92)(H,84,93)(H,85,94)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150694
(311383 | CHEMBL437440)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C76H130N14O18/c1-30-44(13)54(80-58(93)50(40(5)6)78-59(94)51(41(7)8)83-65(100)72(19,20)86-48(91)37-77-57(92)49(39(3)4)82-68(103)75(25,26)90-70(105)108-71(16,17)18)63(98)88-74(23,24)67(102)85-56(46(15)107-38-47-35-33-32-34-36-47)61(96)79-53(43(11)12)62(97)87-73(21,22)66(101)84-52(42(9)10)60(95)81-55(45(14)31-2)64(99)89-76(27,28)69(104)106-29/h32-36,39-46,49-56H,30-31,37-38H2,1-29H3,(H,77,92)(H,78,94)(H,79,96)(H,80,93)(H,81,95)(H,82,103)(H,83,100)(H,84,101)(H,85,102)(H,86,91)(H,87,97)(H,88,98)(H,89,99)(H,90,105)/t44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150687
(CHEMBL410969 | methyl 2-[(2S,3S)-2-[(2S)-2-{2-[(2S...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C65H111N11O15/c1-26-38(11)46(68-49(77)42(34(3)4)66-50(78)43(35(5)6)71-58(86)64(21,22)76-60(88)91-61(14,15)16)54(82)74-63(19,20)57(85)72-48(40(13)90-33-41-31-29-28-30-32-41)52(80)67-45(37(9)10)53(81)73-62(17,18)56(84)70-44(36(7)8)51(79)69-47(39(12)27-2)55(83)75-65(23,24)59(87)89-25/h28-32,34-40,42-48H,26-27,33H2,1-25H3,(H,66,78)(H,67,80)(H,68,77)(H,69,79)(H,70,84)(H,71,86)(H,72,85)(H,73,81)(H,74,82)(H,75,83)(H,76,88)/t38-,39-,40+,42-,43-,44-,45-,46-,47-,48-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410181
(CHEMBL2096796)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C82H141N15O19/c1-32-48(15)59(87-64(101)55(44(7)8)85-65(102)56(45(9)10)90-71(108)78(21,22)93-53(98)40-83-63(100)54(43(5)6)89-72(109)79(23,24)94-62(99)52(39-42(3)4)84-76(113)116-77(18,19)20)69(106)96-81(27,28)74(111)92-61(50(17)115-41-51-37-35-34-36-38-51)67(104)86-58(47(13)14)68(105)95-80(25,26)73(110)91-57(46(11)12)66(103)88-60(49(16)33-2)70(107)97-82(29,30)75(112)114-31/h34-38,42-50,52,54-61H,32-33,39-41H2,1-31H3,(H,83,100)(H,84,113)(H,85,102)(H,86,104)(H,87,101)(H,88,103)(H,89,109)(H,90,108)(H,91,110)(H,92,111)(H,93,98)(H,94,99)(H,95,105)(H,96,106)(H,97,107)/t48-,49-,50+,52-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150695
(CHEMBL414031 | methyl 2-[(2S,3S)-2-[(2S)-2-{2-[(2S...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C61H104N10O14/c1-24-36(11)44(64-47(72)40(32(3)4)62-49(74)42(34(7)8)68-57(82)85-58(14,15)16)52(77)70-60(19,20)55(80)67-46(38(13)84-31-39-29-27-26-28-30-39)50(75)63-43(35(9)10)51(76)69-59(17,18)54(79)66-41(33(5)6)48(73)65-45(37(12)25-2)53(78)71-61(21,22)56(81)83-23/h26-30,32-38,40-46H,24-25,31H2,1-23H3,(H,62,74)(H,63,75)(H,64,72)(H,65,73)(H,66,79)(H,67,80)(H,68,82)(H,69,76)(H,70,77)(H,71,78)/t36-,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50410180
(CHEMBL2096797)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C84H144N16O20/c1-32-49(15)61(90-66(105)57(45(7)8)88-67(106)58(46(9)10)93-73(112)80(21,22)96-55(102)41-85-65(104)56(44(5)6)92-74(113)81(23,24)97-64(103)53(39-43(3)4)87-54(101)40-86-78(117)120-79(18,19)20)71(110)99-83(27,28)76(115)95-63(51(17)119-42-52-37-35-34-36-38-52)69(108)89-60(48(13)14)70(109)98-82(25,26)75(114)94-59(47(11)12)68(107)91-62(50(16)33-2)72(111)100-84(29,30)77(116)118-31/h34-38,43-51,53,56-63H,32-33,39-42H2,1-31H3,(H,85,104)(H,86,117)(H,87,101)(H,88,106)(H,89,108)(H,90,105)(H,91,107)(H,92,113)(H,93,112)(H,94,114)(H,95,115)(H,96,102)(H,97,103)(H,98,109)(H,99,110)(H,100,111)/t49-,50-,51+,53-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50150692
(CHEMBL263474 | methyl 2-[(2S)-2-[(2S,3R)-3-(benzyl...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)OC Show InChI InChI=1S/C57H96N10O14/c1-22-34(10)42(49(74)66-56(17,18)51(76)63-43(35(11)80-29-36-26-24-23-25-27-36)47(72)60-41(33(8)9)48(73)67-57(19,20)52(77)79-21)61-45(70)39(31(4)5)59-46(71)40(32(6)7)62-50(75)55(15,16)65-37(68)28-58-44(69)38(30(2)3)64-53(78)81-54(12,13)14/h23-27,30-35,38-43H,22,28-29H2,1-21H3,(H,58,69)(H,59,71)(H,60,72)(H,61,70)(H,62,75)(H,63,76)(H,64,78)(H,65,68)(H,66,74)(H,67,73)/t34-,35+,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibitory activity against Gamma-secretase in HeLa cells expressing APP-reporter |
J Med Chem 47: 3931-3 (2004)
Article DOI: 10.1021/jm049788c
BindingDB Entry DOI: 10.7270/Q29Z94C2 |
More data for this
Ligand-Target Pair | |
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