Found 3 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cathepsin S
(Homo sapiens (Human)) | BDBM19702
((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...)Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | -46.1 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 16: 5112-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM19702
((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...)Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 16: 5112-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR |
More data for this Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM19702
((2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N...)Show SMILES FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r| Show InChI InChI=1S/C27H30F3N3O4/c28-27(29,30)37-21-12-10-20(11-13-21)31-14-15-32-25(34)22(16-18-6-2-1-3-7-18)33-26(35)24-17-19-8-4-5-9-23(19)36-24/h4-5,8-13,17-18,22,31H,1-3,6-7,14-16H2,(H,32,34)(H,33,35)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 16: 5112-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR |
More data for this Ligand-Target Pair | 3D Structure (docked) |