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BDBM50435394 CHEMBL2391913

SMILES: C=CCn1sc2ccccc2c1=O

InChI Key: InChIKey=BUQJUCVPPUJQBJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50435394   
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))
BDBM50435394
PNG
(CHEMBL2391913)
Show SMILES C=CCn1sc2ccccc2c1=O
Show InChI InChI=1S/C10H9NOS/c1-2-7-11-10(12)8-5-3-4-6-9(8)13-11/h2-6H,1,7H2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.27E+4n/an/an/an/an/an/a



NanKai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substra...


Bioorg Med Chem 21: 2960-7 (2013)


Article DOI: 10.1016/j.bmc.2013.03.075
BindingDB Entry DOI: 10.7270/Q2VQ343R
More data for this
Ligand-Target Pair