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BDBM50377589 CHEMBL261218

SMILES: NC(=S)NN=C(CCc1ccccc1)c1cccc(F)c1

InChI Key: InChIKey=ZDCVELFLAQPFOQ-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377589   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin B


(Homo sapiens (Human))
BDBM50377589
PNG
(CHEMBL261218)
Show SMILES NC(=S)NN=C(CCc1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3S/c17-14-8-4-7-13(11-14)15(19-20-16(18)21)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,18,20,21)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/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))
BDBM50377589
PNG
(CHEMBL261218)
Show SMILES NC(=S)NN=C(CCc1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C16H16FN3S/c17-14-8-4-7-13(11-14)15(19-20-16(18)21)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H3,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/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