Found 3 hits for monomerid = 50400215 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)) | BDBM50400215
(CHEMBL2181021)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=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)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C49H72N8O12/c1-28(2)24-35(45(64)51-30(5)43(62)54-36(26-33-18-13-10-14-19-33)47(66)57-23-15-20-38(57)49(68)69-8)52-41(61)27-39(59)34(25-32-16-11-9-12-17-32)53-46(65)37(21-22-40(50)60)56(7)48(67)42(29(3)4)55-44(63)31(6)58/h9-14,16-19,28-31,34-39,42,58-59H,15,20-27H2,1-8H3,(H2,50,60)(H,51,64)(H,52,61)(H,53,65)(H,54,62)(H,55,63)/t30-,31-,34-,35-,36+,37-,38-,39-,42-/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 | 5.43E+3 | 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)) | BDBM50400215
(CHEMBL2181021)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=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)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C49H72N8O12/c1-28(2)24-35(45(64)51-30(5)43(62)54-36(26-33-18-13-10-14-19-33)47(66)57-23-15-20-38(57)49(68)69-8)52-41(61)27-39(59)34(25-32-16-11-9-12-17-32)53-46(65)37(21-22-40(50)60)56(7)48(67)42(29(3)4)55-44(63)31(6)58/h9-14,16-19,28-31,34-39,42,58-59H,15,20-27H2,1-8H3,(H2,50,60)(H,51,64)(H,52,61)(H,53,65)(H,54,62)(H,55,63)/t30-,31-,34-,35-,36+,37-,38-,39-,42-/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 | 89 | 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)) | BDBM50400215
(CHEMBL2181021)Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=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)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C49H72N8O12/c1-28(2)24-35(45(64)51-30(5)43(62)54-36(26-33-18-13-10-14-19-33)47(66)57-23-15-20-38(57)49(68)69-8)52-41(61)27-39(59)34(25-32-16-11-9-12-17-32)53-46(65)37(21-22-40(50)60)56(7)48(67)42(29(3)4)55-44(63)31(6)58/h9-14,16-19,28-31,34-39,42,58-59H,15,20-27H2,1-8H3,(H2,50,60)(H,51,64)(H,52,61)(H,53,65)(H,54,62)(H,55,63)/t30-,31-,34-,35-,36+,37-,38-,39-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.90 | 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 | |