BDBM50377595 CHEMBL404938
SMILES: NC(=S)NN=C(C=Cc1ccccc1)c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=ONATVUQYXQRQNA-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377595 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 B
(Homo sapiens (Human)) | BDBM50377595
(CHEMBL404938)Show SMILES NC(=S)NN=C(C=Cc1ccccc1)c1cccc(c1)C(F)(F)F |w:6.5,4.3| Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)14-8-4-7-13(11-14)15(22-23-16(21)24)10-9-12-5-2-1-3-6-12/h1-11H,(H3,21,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin B |
Bioorg Med Chem Lett 18: 2883-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.083 BindingDB Entry DOI: 10.7270/Q2Q24150 |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50377595
(CHEMBL404938)Show SMILES NC(=S)NN=C(C=Cc1ccccc1)c1cccc(c1)C(F)(F)F |w:6.5,4.3| Show InChI InChI=1S/C17H14F3N3S/c18-17(19,20)14-8-4-7-13(11-14)15(22-23-16(21)24)10-9-12-5-2-1-3-6-12/h1-11H,(H3,21,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin L |
Bioorg Med Chem Lett 18: 2883-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.083 BindingDB Entry DOI: 10.7270/Q2Q24150 |
More data for this Ligand-Target Pair | |