Found 14 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 |
|---|
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50096851
(CHEMBL3580774)Show SMILES C[C@@H](COc1ccc(F)cc1[C@@H](C)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O |r| Show InChI InChI=1S/C24H24F4N4O3/c1-14-11-30(13-29-14)19-5-6-20-23(34)31(8-9-32(20)22(19)33)15(2)12-35-21-7-4-17(25)10-18(21)16(3)24(26,27)28/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3/t15-,16+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096863
(CHEMBL3580766)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccccc3-c3cc(no3)C(F)(F)F)CCn2c1=O Show InChI InChI=1S/C24H20F3N5O4/c1-15-13-31(14-28-15)17-6-7-18-22(33)30(8-9-32(18)23(17)34)10-11-35-19-5-3-2-4-16(19)20-12-21(29-36-20)24(25,26)27/h2-7,12-14H,8-11H2,1H3 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096865
(CHEMBL3580764)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccccc3-c3csc(n3)C(F)(F)F)CCn2c1=O Show InChI InChI=1S/C24H20F3N5O3S/c1-15-12-31(14-28-15)18-6-7-19-21(33)30(8-9-32(19)22(18)34)10-11-35-20-5-3-2-4-16(20)17-13-36-23(29-17)24(25,26)27/h2-7,12-14H,8-11H2,1H3 | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096853
(CHEMBL3580772)Show SMILES C[C@H](c1cc(F)ccc1OCCN1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N4O3/c1-14-12-30(13-28-14)18-4-5-19-21(32)29(7-8-31(19)22(18)33)9-10-34-20-6-3-16(24)11-17(20)15(2)23(25,26)27/h3-6,11-13,15H,7-10H2,1-2H3/t15-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096858
(CHEMBL3580767)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(F)c4nc(sc34)C(F)(F)F)CCn2c1=O Show InChI InChI=1S/C22H17F4N5O3S/c1-12-10-30(11-27-12)14-3-4-15-19(32)29(6-7-31(15)20(14)33)8-9-34-16-5-2-13(23)17-18(16)35-21(28-17)22(24,25)26/h2-5,10-11H,6-9H2,1H3 | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096854
(CHEMBL3580771)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(F)cc3C(C)(C)C(F)(F)F)CCn2c1=O Show InChI InChI=1S/C24H24F4N4O3/c1-15-13-31(14-29-15)18-5-6-19-21(33)30(8-9-32(19)22(18)34)10-11-35-20-7-4-16(25)12-17(20)23(2,3)24(26,27)28/h4-7,12-14H,8-11H2,1-3H3 | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096855
(CHEMBL3580770)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccc(F)cc3C3CC(F)(F)C3)CCn2c1=O Show InChI InChI=1S/C24H23F3N4O3/c1-15-13-30(14-28-15)19-3-4-20-22(32)29(6-7-31(20)23(19)33)8-9-34-21-5-2-17(25)10-18(21)16-11-24(26,27)12-16/h2-5,10,13-14,16H,6-9,11-12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096864
(CHEMBL3580765)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccccc3-c3cc(no3)C(F)F)CCn2c1=O Show InChI InChI=1S/C24H21F2N5O4/c1-15-13-30(14-27-15)18-6-7-19-23(32)29(8-9-31(19)24(18)33)10-11-34-20-5-3-2-4-16(20)21-12-17(22(25)26)28-35-21/h2-7,12-14,22H,8-11H2,1H3 | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096856
(CHEMBL3580769)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccccc3C3CCC3)CCn2c1=O Show InChI InChI=1S/C24H26N4O3/c1-17-15-27(16-25-17)20-9-10-21-23(29)26(11-12-28(21)24(20)30)13-14-31-22-8-3-2-7-19(22)18-5-4-6-18/h2-3,7-10,15-16,18H,4-6,11-14H2,1H3 | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096852
(CHEMBL3580773)Show SMILES C[C@@H](c1cc(F)ccc1OCCN1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)C(F)(F)F |r| Show InChI InChI=1S/C23H22F4N4O3/c1-14-12-30(13-28-14)18-4-5-19-21(32)29(7-8-31(19)22(18)33)9-10-34-20-6-3-16(24)11-17(20)15(2)23(25,26)27/h3-6,11-13,15H,7-10H2,1-2H3/t15-/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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096849
(CHEMBL3580763)Show SMILES Cc1cc(sn1)-c1ccccc1OCCN1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O Show InChI InChI=1S/C24H23N5O3S/c1-16-13-22(33-26-16)18-5-3-4-6-21(18)32-12-11-27-9-10-29-20(23(27)30)8-7-19(24(29)31)28-14-17(2)25-15-28/h3-8,13-15H,9-12H2,1-2H3 | 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 | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096857
(CHEMBL3580768)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccccc3C(C)(C)C)CCn2c1=O Show InChI InChI=1S/C24H28N4O3/c1-17-15-27(16-25-17)19-9-10-20-22(29)26(11-12-28(20)23(19)30)13-14-31-21-8-6-5-7-18(21)24(2,3)4/h5-10,15-16H,11-14H2,1-4H3 | 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 | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
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)) | BDBM50096850
(CHEMBL3580762)Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(CCOc3ccccc3-c3csc(C)n3)CCn2c1=O Show InChI InChI=1S/C24H23N5O3S/c1-16-13-28(15-25-16)20-7-8-21-23(30)27(9-10-29(21)24(20)31)11-12-32-22-6-4-3-5-18(22)19-14-33-17(2)26-19/h3-8,13-15H,9-12H2,1-2H3 | 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 | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Modulation of human gamma secretase overexpressed in CHO cells co-expressing wild type human APP assessed as inhibition of amyloid beta-42 production... |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50096851
(CHEMBL3580774)Show SMILES C[C@@H](COc1ccc(F)cc1[C@@H](C)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O |r| Show InChI InChI=1S/C24H24F4N4O3/c1-14-11-30(13-29-14)19-5-6-20-23(34)31(8-9-32(20)22(19)33)15(2)12-35-21-7-4-17(25)10-18(21)16(3)24(26,27)28/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3/t15-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHOK1 cells by patch clamp assay |
ACS Med Chem Lett 6: 596-601 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00070
BindingDB Entry DOI: 10.7270/Q26975BS |
More data for this
Ligand-Target Pair | |
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