BDBM50377597 CHEMBL407264
SMILES: Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(F)(F)F
InChI Key: InChIKey=CTYIIVFLDQCJPG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377597 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)) | BDBM50377597
(CHEMBL407264)Show SMILES Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:8.9| Show InChI InChI=1S/C16H14F3N3S/c1-10-5-7-11(8-6-10)14(21-22-15(20)23)12-3-2-4-13(9-12)16(17,18)19/h2-9H,1H3,(H3,20,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 210 | 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)) | BDBM50377597
(CHEMBL407264)Show SMILES Cc1ccc(cc1)C(=NNC(N)=S)c1cccc(c1)C(F)(F)F |w:8.9| Show InChI InChI=1S/C16H14F3N3S/c1-10-5-7-11(8-6-10)14(21-22-15(20)23)12-3-2-4-13(9-12)16(17,18)19/h2-9H,1H3,(H3,20,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.40 | 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 | |