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BDBM50428720 CHEMBL2333140

SMILES: NC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O

InChI Key: InChIKey=NQBMWVZOZJOOQI-UHFFFAOYSA-N

Data: 1 KI

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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 = 50428720   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50428720
PNG
(CHEMBL2333140)
Show SMILES NC(=O)c1ccccc1C(=O)c1ccc(Sc2ccc(Cl)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H13ClN2O4S/c21-13-6-8-14(9-7-13)28-18-10-5-12(11-17(18)23(26)27)19(24)15-3-1-2-4-16(15)20(22)25/h1-11H,(H2,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



Dalian University of Technology

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL (unknown origin)


Eur J Med Chem 59: 141-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.050
BindingDB Entry DOI: 10.7270/Q25B03V2
More data for this
Ligand-Target Pair