Found 3 hits for monomerid = 50398474 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)) | BDBM50398474
(CHEMBL2179136)Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of recombinant BACE1 expressed in Escherichia coli using Arg- Glu(EDANS)-Glu-Val-Asn-Leu-Asp-Ala-Glu-Phe-Lys(Dabcyl)-Arg as substrate by f... |
J Med Chem 55: 9195-207 (2012)
Article DOI: 10.1021/jm3008823 BindingDB Entry DOI: 10.7270/Q23F4QT0 |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50398474
(CHEMBL2179136)Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/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
| 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin D |
J Med Chem 55: 9195-207 (2012)
Article DOI: 10.1021/jm3008823 BindingDB Entry DOI: 10.7270/Q23F4QT0 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50398474
(CHEMBL2179136)Show SMILES CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r| Show InChI InChI=1S/C31H43N5O5S/c1-6-23-19-36-12-13-42(40,41)35(5)27-16-24(15-26(23)29(27)36)30(38)34-25(14-22-10-8-7-9-11-22)18-32-28(21(4)37)31(39)33-17-20(2)3/h7-11,15-16,19-21,25,28,32,37H,6,12-14,17-18H2,1-5H3,(H,33,39)(H,34,38)/t21-,25-,28-/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Inhibition of BACE1 in human neuroblastoma cells |
J Med Chem 55: 9195-207 (2012)
Article DOI: 10.1021/jm3008823 BindingDB Entry DOI: 10.7270/Q23F4QT0 |
More data for this Ligand-Target Pair | |