BindingDB logo
myBDB logout

BDBM50431327 CHEMBL2348835

SMILES: OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O

InChI Key: InChIKey=RXVQGIXCWXKRCJ-ZROIWOOFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431327   
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
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50431327
PNG
(CHEMBL2348835)
Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-2-10(8-11)13-5-4-12(23-13)9-14-16(22)19(17(24)25-14)7-6-15(20)21/h1-5,8-9H,6-7H2,(H,20,21)/b14-9-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



NAS of Ukraine

Curated by ChEMBL


Assay Description
Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting a...


Eur J Med Chem 61: 104-15 (2013)


Article DOI: 10.1016/j.ejmech.2012.09.022
BindingDB Entry DOI: 10.7270/Q2FX7BTH
More data for this
Ligand-Target Pair