BindingDB logo
myBDB logout

BDBM79697 1-(2-chloranyl-4-nitro-phenyl)-4-(2-methoxyphenyl)piperazine::1-(2-chloro-4-nitro-phenyl)-4-(2-methoxyphenyl)piperazine::1-(2-chloro-4-nitrophenyl)-4-(2-methoxyphenyl)piperazine::MLS000417134::SMR000264366::cid_4780145

SMILES: COc1ccccc1N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O

InChI Key: InChIKey=APGNCGQMAUPNGB-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 = 79697   
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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79697
PNG
(1-(2-chloranyl-4-nitro-phenyl)-4-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C17H18ClN3O3/c1-24-17-5-3-2-4-16(17)20-10-8-19(9-11-20)15-7-6-13(21(22)23)12-14(15)18/h2-7,12H,8-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.15E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair