Found 3 hits for monomerid = 50322891 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)) | BDBM50322891
(3-(N-(3-cyanophenyl)methylsulfonamido)-N-((2S,3R)-...)Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cccc(c1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-15-7-4-8-16-28)36-23-32(40)31(20-25-11-5-3-6-12-25)38-34(42)27-14-10-18-30(21-27)39(45(2,43)44)29-17-9-13-26(19-29)22-35/h3,5-6,9-14,17-19,21,24,28,31-32,36,40H,4,7-8,15-16,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,31-,32+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 4639-44 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.111 BindingDB Entry DOI: 10.7270/Q2RB75K7 |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50322891
(3-(N-(3-cyanophenyl)methylsulfonamido)-N-((2S,3R)-...)Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cccc(c1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-15-7-4-8-16-28)36-23-32(40)31(20-25-11-5-3-6-12-25)38-34(42)27-14-10-18-30(21-27)39(45(2,43)44)29-17-9-13-26(19-29)22-35/h3,5-6,9-14,17-19,21,24,28,31-32,36,40H,4,7-8,15-16,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,31-,32+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 4639-44 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.111 BindingDB Entry DOI: 10.7270/Q2RB75K7 |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50322891
(3-(N-(3-cyanophenyl)methylsulfonamido)-N-((2S,3R)-...)Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cccc(c1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C34H41N5O5S/c1-24(33(41)37-28-15-7-4-8-16-28)36-23-32(40)31(20-25-11-5-3-6-12-25)38-34(42)27-14-10-18-30(21-27)39(45(2,43)44)29-17-9-13-26(19-29)22-35/h3,5-6,9-14,17-19,21,24,28,31-32,36,40H,4,7-8,15-16,20,23H2,1-2H3,(H,37,41)(H,38,42)/t24-,31-,32+/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
Patents
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 4639-44 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.111 BindingDB Entry DOI: 10.7270/Q2RB75K7 |
More data for this Ligand-Target Pair | |