Found 3 hits for monomerid = 50333944 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 |
Cathepsin D
(Homo sapiens (Human)) | BDBM50333944
((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/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
| 13 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50333944
((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 94 | 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 | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50333944
((S)-N-((S)-Benzylcarbamoyl-isopropylsulfanyl-methy...)Show SMILES CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C40H53N5O8S2/c1-24(2)33(38(49)44-40(54-25(3)4)39(50)41-21-27-12-9-8-10-13-27)20-35(46)34-23-53-22-28-14-11-15-29(16-28)26(5)42-36(47)30-17-31(37(48)43-34)19-32(18-30)45(6)55(7,51)52/h8-19,24-26,33-35,40,46H,20-23H2,1-7H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)/t26?,33-,34-,35-,40-/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 | 50 | 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 | |