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BDBM70538 2-chloranyl-3-(ethylamino)naphthalene-1,4-dione::2-chloro-3-(ethylamino)-1,4-naphthoquinone::2-chloro-3-(ethylamino)naphthalene-1,4-dione::2-chloro-3-(ethylamino)naphthoquinone::MLS000533469::SMR000140907::cid_220717

SMILES: CC=Nc1c(Cl)c(O)c2ccccc2c1O

InChI Key: InChIKey=OGGBHYLHJXBVML-UHFFFAOYSA-N

Data: 1 EC50

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 = 70538   
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
MSRA protein


(Bos taurus)
BDBM70538
PNG
(2-chloranyl-3-(ethylamino)naphthalene-1,4-dione | ...)
Show SMILES CC=Nc1c(Cl)c(O)c2ccccc2c1O |w:1.0|
Show InChI InChI=1S/C12H10ClNO2/c1-2-14-10-9(13)11(15)7-5-3-4-6-8(7)12(10)16/h2-6,15-16H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair