Found 4 hits in this display 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 |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50386486
(CHEMBL2048063)Show SMILES CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 |r| Show InChI InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 ectodomain after 1 hr by fluorescence analysis |
J Med Chem 55: 3364-86 (2012)
Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50386486
(CHEMBL2048063)Show SMILES CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 |r| Show InChI InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1 | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 3364-86 (2012)
Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50386486
(CHEMBL2048063)Show SMILES CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 |r| Show InChI InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of BACE-1 mediated amyloid beta 40 release in human wild type APP-transfected CHO cells by HTRF immunoassay |
J Med Chem 55: 3364-86 (2012)
Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50386486
(CHEMBL2048063)Show SMILES CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 |r| Show InChI InChI=1S/C24H30F7N3O5S/c1-22(2,3)8-15-7-14(34-39-15)9-33-17-11-40(36,37)10-13(20(17)35)4-12-5-16(25)19(32)18(6-12)38-21(23(26,27)28)24(29,30)31/h5-7,13,17,20-21,33,35H,4,8-11,32H2,1-3H3/t13-,17+,20+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharma AG
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CatD using Mca-GKPILFFRLK(DNP)-dR-NH2 as substrate after 1 hr by fluorescence analysis |
J Med Chem 55: 3364-86 (2012)
Article DOI: 10.1021/jm300069y
BindingDB Entry DOI: 10.7270/Q2P55PJW |
More data for this
Ligand-Target Pair | |