Found 3 hits for monomerid = 50333950 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 |
Renin
(Homo sapiens (Human)) | BDBM50333950
((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...)Show SMILES COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C34H50N4O9S/c1-21(2)18-35-33(42)28(22(3)4)17-30(39)29-20-46-19-23-9-8-10-24(13-23)34(47-12-11-45-6)37-32(41)26-14-25(31(40)36-29)15-27(16-26)38(5)48(7,43)44/h8-10,13-16,21-22,28-30,34,39H,11-12,17-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,34?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description Inhibition of renin |
Bioorg Med Chem Lett 21: 358-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50333950
((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...)Show SMILES COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C34H50N4O9S/c1-21(2)18-35-33(42)28(22(3)4)17-30(39)29-20-46-19-23-9-8-10-24(13-23)34(47-12-11-45-6)37-32(41)26-14-25(31(40)36-29)15-27(16-26)38(5)48(7,43)44/h8-10,13-16,21-22,28-30,34,39H,11-12,17-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,34?/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
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB
Curated by ChEMBL
| Assay Description Inhibition of cathepsin D |
Bioorg Med Chem Lett 21: 358-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50333950
((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...)Show SMILES COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C34H50N4O9S/c1-21(2)18-35-33(42)28(22(3)4)17-30(39)29-20-46-19-23-9-8-10-24(13-23)34(47-12-11-45-6)37-32(41)26-14-25(31(40)36-29)15-27(16-26)38(5)48(7,43)44/h8-10,13-16,21-22,28-30,34,39H,11-12,17-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)/t28-,29-,30-,34?/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 |
Medivir AB
Curated by ChEMBL
| Assay Description Inhibition of BACE1 |
Bioorg Med Chem Lett 21: 358-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ |
More data for this Ligand-Target Pair | |