Found 2 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)) | BDBM50121561
(CHEMBL356167 | Morpholine-4-carboxylic acid (1-{[(...)Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1cccc(Cl)c1)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)10-19(25-21(28)26-6-8-29-9-7-26)20(27)24-18(12-23)14-30-13-16-4-3-5-17(22)11-16/h3-5,11,15,18-19H,6-10,13-14H2,1-2H3,(H,24,27)(H,25,28)/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus |
J Med Chem 45: 5471-82 (2002)
BindingDB Entry DOI: 10.7270/Q2P26XG7 |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50121561
(CHEMBL356167 | Morpholine-4-carboxylic acid (1-{[(...)Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1cccc(Cl)c1)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)10-19(25-21(28)26-6-8-29-9-7-26)20(27)24-18(12-23)14-30-13-16-4-3-5-17(22)11-16/h3-5,11,15,18-19H,6-10,13-14H2,1-2H3,(H,24,27)(H,25,28)/t18-,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Equilibrium dissocation constant determined using fluorescence based competitive binding assay towards Cathepsin S |
J Med Chem 45: 5471-82 (2002)
BindingDB Entry DOI: 10.7270/Q2P26XG7 |
More data for this Ligand-Target Pair | |