Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50013866 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)) | BDBM50135575
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(cc[nH]c3=O)c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H24F2N4O3/c1-16(13-17-7-10-22(30)23(31)14-17)27(36)34-26-29(38)35(2)24-6-4-3-5-21(24)25(33-26)19-8-9-20-18(15-19)11-12-32-28(20)37/h3-12,14-16,26H,13H2,1-2H3,(H,32,37)(H,34,36)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135589
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)NCCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H26F2N4O3/c1-16(13-17-7-10-22(30)23(31)14-17)27(36)34-26-29(38)35(2)24-6-4-3-5-21(24)25(33-26)19-8-9-20-18(15-19)11-12-32-28(20)37/h3-10,14-16,26H,11-13H2,1-2H3,(H,32,37)(H,34,36)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135578
(4-{3-[(S)-3-(3,4-Difluoro-phenyl)-2-methyl-propion...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)NC1N=C(c2ccc(cc2)C(N)=O)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H24F2N4O3/c1-15(13-16-7-12-20(28)21(29)14-16)26(35)32-25-27(36)33(2)22-6-4-3-5-19(22)23(31-25)17-8-10-18(11-9-17)24(30)34/h3-12,14-15,25H,13H2,1-2H3,(H2,30,34)(H,32,35)/t15-,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135579
((S)-N-[(S)-5-Benzo[1,3]dioxol-5-yl-1-(2-hydroxy-et...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CCO)C1=O |t:16| Show InChI InChI=1S/C28H25F2N3O5/c1-16(12-17-6-8-20(29)21(30)13-17)27(35)32-26-28(36)33(10-11-34)22-5-3-2-4-19(22)25(31-26)18-7-9-23-24(14-18)38-15-37-23/h2-9,13-14,16,26,34H,10-12,15H2,1H3,(H,32,35)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135584
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)occc3=O)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H23F2N3O4/c1-16(13-17-7-10-21(30)22(31)14-17)28(36)33-27-29(37)34(2)23-6-4-3-5-19(23)26(32-27)18-8-9-20-24(35)11-12-38-25(20)15-18/h3-12,14-16,27H,13H2,1-2H3,(H,33,36)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135582
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-2-oxo-2,3-dihyd...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2NC1=O |t:16| Show InChI InChI=1S/C26H21F2N3O4/c1-14(10-15-6-8-18(27)19(28)11-15)25(32)31-24-26(33)29-20-5-3-2-4-17(20)23(30-24)16-7-9-21-22(12-16)35-13-34-21/h2-9,11-12,14,24H,10,13H2,1H3,(H,29,33)(H,31,32)/t14-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135586
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-methylcarbamo...)Show SMILES CNC(=O)CN1c2ccccc2C(=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O)c1ccc2OCOc2c1 |c:13| Show InChI InChI=1S/C29H26F2N4O5/c1-16(11-17-7-9-20(30)21(31)12-17)28(37)34-27-29(38)35(14-25(36)32-2)22-6-4-3-5-19(22)26(33-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,32,36)(H,34,37)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135591
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)CCCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C30H27F2N3O3/c1-17(14-18-10-13-23(31)24(32)15-18)29(37)34-28-30(38)35(2)25-8-4-3-7-22(25)27(33-28)20-11-12-21-19(16-20)6-5-9-26(21)36/h3-4,7-8,10-13,15-17,28H,5-6,9,14H2,1-2H3,(H,34,37)/t17-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135581
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)CCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H25F2N3O3/c1-16(13-17-7-11-22(30)23(31)14-17)28(36)33-27-29(37)34(2)24-6-4-3-5-21(24)26(32-27)19-8-10-20-18(15-19)9-12-25(20)35/h3-8,10-11,14-16,27H,9,12-13H2,1-2H3,(H,33,36)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135590
((S)-N-[(S)-5-Benzo[1,3]dioxol-5-yl-2-oxo-1-(3-oxo-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CCC(C)=O)C1=O |t:16| Show InChI InChI=1S/C30H27F2N3O5/c1-17(13-19-7-9-22(31)23(32)14-19)29(37)34-28-30(38)35(12-11-18(2)36)24-6-4-3-5-21(24)27(33-28)20-8-10-25-26(15-20)40-16-39-25/h3-10,14-15,17,28H,11-13,16H2,1-2H3,(H,34,37)/t17-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135588
((S)-3-(3,4-Difluoro-phenyl)-N-[(S)-5-(2,3-dihydro-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCCOc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C28H25F2N3O4/c1-16(13-17-7-9-20(29)21(30)14-17)27(34)32-26-28(35)33(2)22-6-4-3-5-19(22)25(31-26)18-8-10-23-24(15-18)37-12-11-36-23/h3-10,14-16,26H,11-13H2,1-2H3,(H,32,34)/t16-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135577
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-dimethylcarba...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CC(=O)N(C)C)C1=O |t:16| Show InChI InChI=1S/C30H28F2N4O5/c1-17(12-18-8-10-21(31)22(32)13-18)29(38)34-28-30(39)36(15-26(37)35(2)3)23-7-5-4-6-20(23)27(33-28)19-9-11-24-25(14-19)41-16-40-24/h4-11,13-14,17,28H,12,15-16H2,1-3H3,(H,34,38)/t17-,28+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135583
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-carbamoylmeth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(CC(N)=O)C1=O |t:16| Show InChI InChI=1S/C28H24F2N4O5/c1-15(10-16-6-8-19(29)20(30)11-16)27(36)33-26-28(37)34(13-24(31)35)21-5-3-2-4-18(21)25(32-26)17-7-9-22-23(12-17)39-14-38-22/h2-9,11-12,15,26H,10,13-14H2,1H3,(H2,31,35)(H,33,36)/t15-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135585
((S)-N-((S)-5-Benzo[1,3]dioxol-5-yl-1-methyl-2-oxo-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OCOc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H23F2N3O4/c1-15(11-16-7-9-19(28)20(29)12-16)26(33)31-25-27(34)32(2)21-6-4-3-5-18(21)24(30-25)17-8-10-22-23(13-17)36-14-35-22/h3-10,12-13,15,25H,11,14H2,1-2H3,(H,31,33)/t15-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135587
(CHEMBL335994 | {(S)-5-Benzo[1,3]dioxol-5-yl-3-[(S)...)Show SMILES COC(=O)CN1c2ccccc2C(=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O)c1ccc2OCOc2c1 |c:13| Show InChI InChI=1S/C29H25F2N3O6/c1-16(11-17-7-9-20(30)21(31)12-17)28(36)33-27-29(37)34(14-25(35)38-2)22-6-4-3-5-19(22)26(32-27)18-8-10-23-24(13-18)40-15-39-23/h3-10,12-13,16,27H,11,14-15H2,1-2H3,(H,33,36)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135576
((S)-N-[(S)-5-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3OC(F)(F)Oc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C27H21F4N3O4/c1-14(11-15-7-9-18(28)19(29)12-15)25(35)33-24-26(36)34(2)20-6-4-3-5-17(20)23(32-24)16-8-10-21-22(13-16)38-27(30,31)37-21/h3-10,12-14,24H,11H2,1-2H3,(H,33,35)/t14-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135574
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3NC(=O)CCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C29H26F2N4O3/c1-16(13-17-7-10-21(30)22(31)14-17)28(37)34-27-29(38)35(2)24-6-4-3-5-20(24)26(33-27)19-8-11-23-18(15-19)9-12-25(36)32-23/h3-8,10-11,14-16,27H,9,12-13H2,1-2H3,(H,32,36)(H,34,37)/t16-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 101 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
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)) | BDBM50135580
((S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-meth...)Show SMILES C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3C(=O)N(C)CCc3c2)c2ccccc2N(C)C1=O |t:16| Show InChI InChI=1S/C30H28F2N4O3/c1-17(14-18-8-11-23(31)24(32)15-18)28(37)34-27-30(39)36(3)25-7-5-4-6-22(25)26(33-27)20-9-10-21-19(16-20)12-13-35(2)29(21)38/h4-11,15-17,27H,12-14H2,1-3H3,(H,34,37)/t17-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of gamma secretase. |
Bioorg Med Chem Lett 13: 4143-5 (2003)
BindingDB Entry DOI: 10.7270/Q22V2FHQ |
More data for this
Ligand-Target Pair | |
Search and Browse
