Found 2 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50485434' 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 |
Presenilin-1
(Homo sapiens (Human)) | BDBM50485434
![PNG](/data/jpeg/tenK5048/BindingDB_50485434.png) (CHEMBL2059016)Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CC[C@@H](CC1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:15.18,wD:3.3,12.11,(.6,-42.56,;-.73,-41.8,;-2.06,-42.57,;-.74,-40.26,;.59,-39.49,;1.93,-40.26,;3.25,-39.49,;4.59,-40.26,;3.26,-37.95,;4.59,-38.71,;-2.1,-39.49,;-3.43,-40.27,;-4.77,-39.51,;-4.79,-37.97,;-6.12,-37.21,;-7.46,-37.99,;-7.44,-39.53,;-6.1,-40.3,;-8.79,-37.23,;-10.14,-36.47,;-2.1,-37.94,;-2.87,-36.61,;-3.64,-37.94,;-.77,-37.18,;-.74,-35.65,;.6,-34.9,;1.92,-35.69,;3.26,-34.94,;1.9,-37.22,;.56,-37.98,)| Show InChI InChI=1S/C19H23ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h5-8,13-14,17H,1-4,9-10,12H2,(H2,25,27)/t13-,14-,17-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant |
J Med Chem 55: 3414-24 (2012)
Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50485434
![PNG](/data/jpeg/tenK5048/BindingDB_50485434.png) (CHEMBL2059016)Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CC[C@@H](CC1)C#N)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:15.18,wD:3.3,12.11,(.6,-42.56,;-.73,-41.8,;-2.06,-42.57,;-.74,-40.26,;.59,-39.49,;1.93,-40.26,;3.25,-39.49,;4.59,-40.26,;3.26,-37.95,;4.59,-38.71,;-2.1,-39.49,;-3.43,-40.27,;-4.77,-39.51,;-4.79,-37.97,;-6.12,-37.21,;-7.46,-37.99,;-7.44,-39.53,;-6.1,-40.3,;-8.79,-37.23,;-10.14,-36.47,;-2.1,-37.94,;-2.87,-36.61,;-3.64,-37.94,;-.77,-37.18,;-.74,-35.65,;.6,-34.9,;1.92,-35.69,;3.26,-34.94,;1.9,-37.22,;.56,-37.98,)| Show InChI InChI=1S/C19H23ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h5-8,13-14,17H,1-4,9-10,12H2,(H2,25,27)/t13-,14-,17-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant |
J Med Chem 55: 3414-24 (2012)
Article DOI: 10.1021/jm300094u BindingDB Entry DOI: 10.7270/Q23F4SHS |
More data for this Ligand-Target Pair | |