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BDBM50435417 CHEMBL2391912

SMILES: O=C(NCCc1ccccc1)n1sc2ccccc2c1=O

InChI Key: InChIKey=OXBHNTRYFLKEBQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50435417   
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))
BDBM50435417
PNG
(CHEMBL2391912)
Show SMILES O=C(NCCc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c19-15-13-8-4-5-9-14(13)21-18(15)16(20)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/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
Caspase-7


(Homo sapiens (Human))
BDBM50435417
PNG
(CHEMBL2391912)
Show SMILES O=C(NCCc1ccccc1)n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c19-15-13-8-4-5-9-14(13)21-18(15)16(20)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)
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 1.05E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


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


Bioorg Med Chem 22: 2416-26 (2014)


Article DOI: 10.1016/j.bmc.2014.03.002
BindingDB Entry DOI: 10.7270/Q2J38V2W
More data for this
Ligand-Target Pair