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BDBM50040332 CHEMBL3360057

SMILES: O=C(CCCCc1ccccc1)n1sc2ccccc2c1=O

InChI Key: InChIKey=GQXBVBOSGIYTNU-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 = 50040332   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Caspase-3


(Homo sapiens (Human))
BDBM50040332
PNG
(CHEMBL3360057)
Show SMILES O=C(CCCCc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H17NO2S/c20-17(13-7-4-10-14-8-2-1-3-9-14)19-18(21)15-11-5-6-12-16(15)22-19/h1-3,5-6,8-9,11-12H,4,7,10,13H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 306n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human caspase-3 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assay


Bioorg Med Chem 22: 6735-45 (2015)


Article DOI: 10.1016/j.bmc.2014.11.005
BindingDB Entry DOI: 10.7270/Q2FQ9Z6K
More data for this
Ligand-Target Pair
Caspase-7


(Homo sapiens (Human))
BDBM50040332
PNG
(CHEMBL3360057)
Show SMILES O=C(CCCCc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H17NO2S/c20-17(13-7-4-10-14-8-2-1-3-9-14)19-18(21)15-11-5-6-12-16(15)22-19/h1-3,5-6,8-9,11-12H,4,7,10,13H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 101n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human caspase-7 activity using Ac-DEVD-AMC as substrate preincubated for 10 mins by fluorescence assay


Bioorg Med Chem 22: 6735-45 (2015)


Article DOI: 10.1016/j.bmc.2014.11.005
BindingDB Entry DOI: 10.7270/Q2FQ9Z6K
More data for this
Ligand-Target Pair