Found 23 hits of Enzyme Inhibition Constant Data 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 |
|---|
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50196898
(((2R,6S)-1-(4-chlorophenylsulfonyl)-6-phenylpiperi...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CCC[C@H]1c1ccccc1 Show InChI InChI=1S/C29H38ClN3O4S/c30-24-12-14-27(15-13-24)38(35,36)33-26(10-7-11-28(33)23-8-3-1-4-9-23)22-37-29(34)32-20-16-25(17-21-32)31-18-5-2-6-19-31/h1,3-4,8-9,12-15,25-26,28H,2,5-7,10-11,16-22H2/t26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210042
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12| Show InChI InChI=1S/C29H38ClN3O4S/c30-24-11-14-27(15-12-24)38(35,36)33-26(13-10-23-7-2-3-9-28(23)33)8-6-22-37-29(34)32-20-16-25(17-21-32)31-18-4-1-5-19-31/h2-3,7,9,11-12,14-15,25-26H,1,4-6,8,10,13,16-22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50196629
((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquin...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12| Show InChI InChI=1S/C27H34ClN3O4S/c28-22-9-12-25(13-10-22)36(33,34)31-24(11-8-21-6-2-3-7-26(21)31)20-35-27(32)30-18-14-23(15-19-30)29-16-4-1-5-17-29/h2-3,6-7,9-10,12-13,23-24H,1,4-5,8,11,14-20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210040
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)NCCCn2ccnc2)CCc2ccccc12 Show InChI InChI=1S/C25H29ClN4O4S/c26-21-9-12-23(13-10-21)35(32,33)30-22(11-8-20-5-1-2-7-24(20)30)6-3-18-34-25(31)28-14-4-16-29-17-15-27-19-29/h1-2,5,7,9-10,12-13,15,17,19,22H,3-4,6,8,11,14,16,18H2,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210044
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCN(CC2)C2CCCCC2)CC[C@H]1c1ccccc1 Show InChI InChI=1S/C28H36ClN3O4S/c29-23-11-14-26(15-12-23)37(34,35)32-25(13-16-27(32)22-7-3-1-4-8-22)21-36-28(33)31-19-17-30(18-20-31)24-9-5-2-6-10-24/h1,3-4,7-8,11-12,14-15,24-25,27H,2,5-6,9-10,13,16-21H2/t25-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210041
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)NC2CCN(Cc3ccccc3)CC2)CC[C@H]1c1ccccc1 Show InChI InChI=1S/C30H34ClN3O4S/c31-25-11-14-28(15-12-25)39(36,37)34-27(13-16-29(34)24-9-5-2-6-10-24)22-38-30(35)32-26-17-19-33(20-18-26)21-23-7-3-1-4-8-23/h1-12,14-15,26-27,29H,13,16-22H2,(H,32,35)/t27-,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210045
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CC[C@H]1c1ccccc1 Show InChI InChI=1S/C28H36ClN3O4S/c29-23-9-12-26(13-10-23)37(34,35)32-25(11-14-27(32)22-7-3-1-4-8-22)21-36-28(33)31-19-15-24(16-20-31)30-17-5-2-6-18-30/h1,3-4,7-10,12-13,24-25,27H,2,5-6,11,14-21H2/t25-,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210043
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)N2CCN(CC2)C2CCCCC2)CCc2ccccc12 |w:11.12| Show InChI InChI=1S/C29H38ClN3O4S/c30-24-13-16-27(17-14-24)38(35,36)33-26(15-12-23-7-4-5-11-28(23)33)10-6-22-37-29(34)32-20-18-31(19-21-32)25-8-2-1-3-9-25/h4-5,7,11,13-14,16-17,25-26H,1-3,6,8-10,12,15,18-22H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210027
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)NC2CCN(Cc3ccccc3)CC2)CCc2ccccc12 Show InChI InChI=1S/C31H36ClN3O4S/c32-26-13-16-29(17-14-26)40(37,38)35-28(15-12-25-9-4-5-11-30(25)35)10-6-22-39-31(36)33-27-18-20-34(21-19-27)23-24-7-2-1-3-8-24/h1-5,7-9,11,13-14,16-17,27-28H,6,10,12,15,18-23H2,(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210033
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES CN1CCCC1CCNC(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H34ClN3O4S/c1-29-18-4-7-22(29)16-17-28-26(31)34-19-5-8-23-13-10-20-6-2-3-9-25(20)30(23)35(32,33)24-14-11-21(27)12-15-24/h2-3,6,9,11-12,14-15,22-23H,4-5,7-8,10,13,16-19H2,1H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210028
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)NCCCn2ccnc2)CCc2ccccc12 Show InChI InChI=1S/C24H27ClN4O4S/c25-20-7-10-22(11-8-20)34(31,32)29-21(9-6-19-4-1-2-5-23(19)29)12-17-33-24(30)27-13-3-15-28-16-14-26-18-28/h1-2,4-5,7-8,10-11,14,16,18,21H,3,6,9,12-13,15,17H2,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210039
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12| Show InChI InChI=1S/C28H36ClN3O4S/c29-23-9-12-26(13-10-23)37(34,35)32-25(11-8-22-6-2-3-7-27(22)32)16-21-36-28(33)31-19-14-24(15-20-31)30-17-4-1-5-18-30/h2-3,6-7,9-10,12-13,24-25H,1,4-5,8,11,14-21H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210046
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES CN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C23H28ClN3O4S/c1-25-13-15-26(16-14-25)23(28)31-17-20-9-12-22(18-5-3-2-4-6-18)27(20)32(29,30)21-10-7-19(24)8-11-21/h2-8,10-11,20,22H,9,12-17H2,1H3/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210036
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES CN1CCCC1CCNC(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H32ClN3O4S/c1-28-17-4-6-21(28)14-16-27-25(30)33-18-15-22-11-8-19-5-2-3-7-24(19)29(22)34(31,32)23-12-9-20(26)10-13-23/h2-3,5,7,9-10,12-13,21-22H,4,6,8,11,14-18H2,1H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210032
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES OCCN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C24H30ClN3O5S/c25-20-6-9-22(10-7-20)34(31,32)28-21(8-11-23(28)19-4-2-1-3-5-19)18-33-24(30)27-14-12-26(13-15-27)16-17-29/h1-7,9-10,21,23,29H,8,11-18H2/t21-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210034
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES CN1CCCC1CCNC(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C25H32ClN3O4S/c1-28-17-5-8-21(28)15-16-27-25(30)33-18-22-11-14-24(19-6-3-2-4-7-19)29(22)34(31,32)23-12-9-20(26)10-13-23/h2-4,6-7,9-10,12-13,21-22,24H,5,8,11,14-18H2,1H3,(H,27,30)/t21?,22-,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210026
(((2R,5S)-1-(4-chlorophenylsulfonyl)-5-phenylpyrrol...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)NCCCn2ccnc2)CC[C@H]1c1ccccc1 Show InChI InChI=1S/C24H27ClN4O4S/c25-20-7-10-22(11-8-20)34(31,32)29-21(9-12-23(29)19-5-2-1-3-6-19)17-33-24(30)27-13-4-15-28-16-14-26-18-28/h1-3,5-8,10-11,14,16,18,21,23H,4,9,12-13,15,17H2,(H,27,30)/t21-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210030
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES OCCN1CCN(CC1)C(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:15.15| Show InChI InChI=1S/C25H32ClN3O5S/c26-21-8-11-23(12-9-21)35(32,33)29-22(10-7-20-4-1-2-6-24(20)29)5-3-19-34-25(31)28-15-13-27(14-16-28)17-18-30/h1-2,4,6,8-9,11-12,22,30H,3,5,7,10,13-19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210038
(3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES CN1CCN(CC1)C(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:13.13| Show InChI InChI=1S/C24H30ClN3O4S/c1-26-14-16-27(17-15-26)24(29)32-18-4-6-21-11-8-19-5-2-3-7-23(19)28(21)33(30,31)22-12-9-20(25)10-13-22/h2-3,5,7,9-10,12-13,21H,4,6,8,11,14-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210037
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES OCCN1CCN(CC1)C(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:14.14| Show InChI InChI=1S/C24H30ClN3O5S/c25-20-6-9-22(10-7-20)34(31,32)28-21(8-5-19-3-1-2-4-23(19)28)11-18-33-24(30)27-14-12-26(13-15-27)16-17-29/h1-4,6-7,9-10,21,29H,5,8,11-18H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210029
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)NC2CCN(Cc3ccccc3)CC2)CCc2ccccc12 Show InChI InChI=1S/C30H34ClN3O4S/c31-25-11-14-28(15-12-25)39(36,37)34-27(13-10-24-8-4-5-9-29(24)34)18-21-38-30(35)32-26-16-19-33(20-17-26)22-23-6-2-1-3-7-23/h1-9,11-12,14-15,26-27H,10,13,16-22H2,(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210035
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)N2CCN(CC2)C2CCCCC2)CCc2ccccc12 |w:11.12| Show InChI InChI=1S/C28H36ClN3O4S/c29-23-11-14-26(15-12-23)37(34,35)32-25(13-10-22-6-4-5-9-27(22)32)16-21-36-28(33)31-19-17-30(18-20-31)24-7-2-1-3-8-24/h4-6,9,11-12,14-15,24-25H,1-3,7-8,10,13,16-21H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50210031
(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)Show SMILES CN1CCN(CC1)C(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:12.12| Show InChI InChI=1S/C23H28ClN3O4S/c1-25-13-15-26(16-14-25)23(28)31-17-12-20-9-6-18-4-2-3-5-22(18)27(20)32(29,30)21-10-7-19(24)8-11-21/h2-5,7-8,10-11,20H,6,9,12-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia Drug Discovery, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of gamma-secretase |
Bioorg Med Chem Lett 17: 3010-3 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.055
BindingDB Entry DOI: 10.7270/Q2QJ7H0H |
More data for this
Ligand-Target Pair | |
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