Found 3 hits for monomerid = 50400211 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50400211
(CHEMBL2181013)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O |r| Show InChI InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | 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)) | BDBM50400211
(CHEMBL2181013)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O |r| Show InChI InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.80 | 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 | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50400211
(CHEMBL2181013)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O |r| Show InChI InChI=1S/C43H61N7O10/c1-26(2)22-33(47-38(54)25-36(52)32(23-29-14-9-7-10-15-29)48-39(55)31(46-28(4)51)19-20-37(44)53)40(56)45-27(3)41(57)49(5)35(24-30-16-11-8-12-17-30)42(58)50-21-13-18-34(50)43(59)60-6/h7-12,14-17,26-27,31-36,52H,13,18-25H2,1-6H3,(H2,44,53)(H,45,56)(H,46,51)(H,47,54)(H,48,55)/t27-,31-,32-,33-,34-,35+,36-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | 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 | |