Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50017793 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)) | BDBM50186575
(CHEMBL377206 | cis-methyl 4-(3-(4-chlorophenylsulf...)Show SMILES COC(=O)CCC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h7-12,14,16H,2-6,13,15H2,1H3/t16-,23+/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186574
(CHEMBL209695 | cis-3-(3-(4-chlorophenylsulfonyl)-3...)Show SMILES OCCC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClF2O3S/c22-16-5-8-18(9-6-16)28(26,27)21(19-13-17(23)7-10-20(19)24)11-1-3-15(14-21)4-2-12-25/h5-10,13,15,25H,1-4,11-12,14H2/t15-,21-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186581
(CHEMBL377413 | cis-methyl 4-(3-(4-chlorophenylsulf...)Show SMILES COC(=O)CCC[C@]1(C)CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClF2O4S/c1-23(12-3-5-22(28)31-2)13-4-14-24(16-23,20-15-18(26)8-11-21(20)27)32(29,30)19-9-6-17(25)7-10-19/h6-11,15H,3-5,12-14,16H2,1-2H3/t23-,24+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186573
(CHEMBL377398 | cis-(E)-methyl 4-(3-(4-chlorophenyl...)Show SMILES COC(=O)\C=C\C[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h2,6-12,14,16H,3-5,13,15H2,1H3/b6-2+/t16-,23+/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186584
(CHEMBL387400 | cis-3-(3-(4-chlorophenylsulfonyl)-3...)Show SMILES OC(=O)CC[C@@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClF2O4S/c22-15-4-7-17(8-5-15)29(27,28)21(18-12-16(23)6-9-19(18)24)11-1-2-14(13-21)3-10-20(25)26/h4-9,12,14H,1-3,10-11,13H2,(H,25,26)/t14-,21-/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186583
(CHEMBL380065 | cis-1-(3-allyl-1-(2,5-difluoropheny...)Show SMILES Fc1ccc(F)c(c1)[C@@]1(CCC[C@@H](CC=C)C1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClF2O2S/c1-2-4-15-5-3-12-21(14-15,19-13-17(23)8-11-20(19)24)27(25,26)18-9-6-16(22)7-10-18/h2,6-11,13,15H,1,3-5,12,14H2/t15-,21+/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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186571
(CHEMBL211896 | trans-3-(4-chlorophenylsulfonyl)-3-...)Show SMILES Fc1ccc(F)c(c1)[C@@]1(CCC[C@@H](C1)C=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClF2O3S/c20-14-3-6-16(7-4-14)26(24,25)19(9-1-2-13(11-19)12-23)17-10-15(21)5-8-18(17)22/h3-8,10,12-13H,1-2,9,11H2/t13-,19-/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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186576
(CHEMBL379758 | cis-3-(4-chlorophenylsulfonyl)-3-(2...)Show SMILES Fc1ccc(F)c(c1)[C@@]1(CCC[C@H](C1)C=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClF2O3S/c20-14-3-6-16(7-4-14)26(24,25)19(9-1-2-13(11-19)12-23)17-10-15(21)5-8-18(17)22/h3-8,10,12-13H,1-2,9,11H2/t13-,19+/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 | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186579
(CHEMBL377892 | trans-1-(3-allyl-1-(2,5-difluorophe...)Show SMILES Fc1ccc(F)c(c1)[C@@]1(CCC[C@H](CC=C)C1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClF2O2S/c1-2-4-15-5-3-12-21(14-15,19-13-17(23)8-11-20(19)24)27(25,26)18-9-6-16(22)7-10-18/h2,6-11,13,15H,1,3-5,12,14H2/t15-,21-/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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186572
(CHEMBL380001 | trans-3-(3-(4-chlorophenylsulfonyl)...)Show SMILES OCCC[C@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClF2O3S/c22-16-5-8-18(9-6-16)28(26,27)21(19-13-17(23)7-10-20(19)24)11-1-3-15(14-21)4-2-12-25/h5-10,13,15,25H,1-4,11-12,14H2/t15-,21+/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 | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186578
(CHEMBL379926 | trans-(E)-methyl 4-(3-(4-chlorophen...)Show SMILES COC(=O)\C=C\C[C@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h2,6-12,14,16H,3-5,13,15H2,1H3/b6-2+/t16-,23-/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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186582
(CHEMBL425060 | trans-methyl 4-(3-(4-chlorophenylsu...)Show SMILES COC(=O)CCC[C@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H25ClF2O4S/c1-30-22(27)6-2-4-16-5-3-13-23(15-16,20-14-18(25)9-12-21(20)26)31(28,29)19-10-7-17(24)8-11-19/h7-12,14,16H,2-6,13,15H2,1H3/t16-,23-/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 | 376 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186577
(CHEMBL442790 | trans-3-(3-(4-chlorophenylsulfonyl)...)Show SMILES OC(=O)CC[C@H]1CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClF2O4S/c22-15-4-7-17(8-5-15)29(27,28)21(18-12-16(23)6-9-19(18)24)11-1-2-14(13-21)3-10-20(25)26/h4-9,12,14H,1-3,10-11,13H2,(H,25,26)/t14-,21+/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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
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)) | BDBM50186580
(CHEMBL209967 | trans-methyl 4-(3-(4-chlorophenylsu...)Show SMILES COC(=O)CCC[C@@]1(C)CCC[C@](C1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClF2O4S/c1-23(12-3-5-22(28)31-2)13-4-14-24(16-23,20-15-18(26)8-11-21(20)27)32(29,30)19-9-6-17(25)7-10-19/h6-11,15H,3-5,12-14,16H2,1-2H3/t23-,24-/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 | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gamma secretase expressed in SH-SY5Y cells |
Bioorg Med Chem Lett 16: 3839-42 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.019
BindingDB Entry DOI: 10.7270/Q2BP02DT |
More data for this
Ligand-Target Pair | |
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