Found 3 hits for monomerid = 50196734 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)) | BDBM50196734
(CHEMBL409947 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...)Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,28+,29+/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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BACE |
Bioorg Med Chem Lett 17: 78-81 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6 |
More data for this Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50196734
(CHEMBL409947 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...)Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,28+,29+/m0/s1 | PDB MMDB
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 | 341 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of cathepsin D |
Bioorg Med Chem Lett 17: 78-81 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196734
(CHEMBL409947 | N-((S)-1-((2S,3R)-4-(3-ethylbenzyla...)Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H41F2N5O5S/c1-4-6-10-44(42,43)19-28(36-30(40)27-11-20(3)37-38-27)31(41)35-26(15-23-13-24(32)16-25(33)14-23)29(39)18-34-17-22-9-7-8-21(5-2)12-22/h7-9,11-14,16,26,28-29,34,39H,4-6,10,15,17-19H2,1-3H3,(H,35,41)(H,36,40)(H,37,38)/t26-,28+,29+/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 | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of BACE expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 78-81 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6 |
More data for this Ligand-Target Pair | |