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BDBM71076 1,1,3-trimethyl-N-[(E)-1-(methylthio)-2-nitroethenyl]-2,3-dihydroinden-4-amine::1,1,3-trimethyl-N-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-2,3-dihydroinden-4-amine::1,1,3-trimethyl-N-[(E)-1-methylsulfanyl-2-nitroethenyl]-2,3-dihydroinden-4-amine::MLS000755780::N-[(E)-1-(methylsulfanyl)-2-nitroethenyl]-N-(1,1,3-trimethyl-2,3-dihydro-1H-inden-4-yl)amine::SMR000337443::[(E)-1-(methylthio)-2-nitro-vinyl]-(1,1,3-trimethylindan-4-yl)amine::cid_16195208

SMILES: CS\C([CH-][N+]([O-])=O)=[NH+]/c1cccc2c1C(C)CC2(C)C

InChI Key: InChIKey=WUMAXROOVMFLPQ-SSZFMOIBSA-O

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 = 71076   
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)
BDBM71076
PNG
(1,1,3-trimethyl-N-[(E)-1-(methylthio)-2-nitroethen...)
Show SMILES CS\C([CH-][N+]([O-])=O)=[NH+]/c1cccc2c1C(C)CC2(C)C
Show InChI InChI=1S/C15H19N2O2S/c1-10-8-15(2,3)11-6-5-7-12(14(10)11)16-13(20-4)9-17(18)19/h5-7,9-10H,8H2,1-4H3/q-1/p+1/b16-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair