Found 3 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 |
Cathepsin E
(Homo sapiens (Human)) | BDBM50400216
(CHEMBL2181020)Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C |r| Show InChI InChI=1S/C47H72N8O10/c1-27(2)23-35(43(61)50-30(7)46(64)55(10)37(45(63)49-29(5)6)25-33-19-15-12-16-20-33)51-40(59)26-38(57)34(24-32-17-13-11-14-18-32)52-44(62)36(21-22-39(48)58)54(9)47(65)41(28(3)4)53-42(60)31(8)56/h11-20,27-31,34-38,41,56-57H,21-26H2,1-10H3,(H2,48,58)(H,49,63)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t30-,31-,34-,35-,36-,37+,38-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of cathepsin E by fluorescence assay |
J Med Chem 55: 10749-65 (2012)
Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50400216
(CHEMBL2181020)Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C |r| Show InChI InChI=1S/C47H72N8O10/c1-27(2)23-35(43(61)50-30(7)46(64)55(10)37(45(63)49-29(5)6)25-33-19-15-12-16-20-33)51-40(59)26-38(57)34(24-32-17-13-11-14-18-32)52-44(62)36(21-22-39(48)58)54(9)47(65)41(28(3)4)53-42(60)31(8)56/h11-20,27-31,34-38,41,56-57H,21-26H2,1-10H3,(H2,48,58)(H,49,63)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t30-,31-,34-,35-,36-,37+,38-,41-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of BACE1 by fluorescence assay |
J Med Chem 55: 10749-65 (2012)
Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50400216
(CHEMBL2181020)Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C |r| Show InChI InChI=1S/C47H72N8O10/c1-27(2)23-35(43(61)50-30(7)46(64)55(10)37(45(63)49-29(5)6)25-33-19-15-12-16-20-33)51-40(59)26-38(57)34(24-32-17-13-11-14-18-32)52-44(62)36(21-22-39(48)58)54(9)47(65)41(28(3)4)53-42(60)31(8)56/h11-20,27-31,34-38,41,56-57H,21-26H2,1-10H3,(H2,48,58)(H,49,63)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t30-,31-,34-,35-,36-,37+,38-,41-/m0/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 | 254 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of cathepsin D by fluorescence assay |
J Med Chem 55: 10749-65 (2012)
Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB |
More data for this Ligand-Target Pair | |