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BDBM67308 4-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylaniline::4-[1-(4-methylphenyl)-2-nitroethyl]sulfanylaniline::4-[[1-(4-methylphenyl)-2-nitroethyl]thio]aniline::4-{[1-(4-methylphenyl)-2-nitroethyl]thio}aniline::MLS000861888::SMR000460672::[4-[[2-nitro-1-(p-tolyl)ethyl]thio]phenyl]amine::cid_2733001

SMILES: Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1

InChI Key: InChIKey=VPJGFOVUFUHEMI-UHFFFAOYSA-N

Data: 2 IC50  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 3 hits for monomerid = 67308   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apelin receptor


(Homo sapiens (Human))
BDBM67308
PNG
(4-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylanilin...)
Show SMILES Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
Show InChI InChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(10-17(18)19)20-14-8-6-13(16)7-9-14/h2-9,15H,10,16H2,1H3
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PCBioAssay
n/an/a 7.90E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM67308
PNG
(4-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylanilin...)
Show SMILES Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
Show InChI InChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(10-17(18)19)20-14-8-6-13(16)7-9-14/h2-9,15H,10,16H2,1H3
PDB
MMDB

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PC cid
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UniChem

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PCBioAssay
n/an/an/an/a 3.13E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SN07DK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM67308
PNG
(4-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylanilin...)
Show SMILES Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
Show InChI InChI=1S/C15H16N2O2S/c1-11-2-4-12(5-3-11)15(10-17(18)19)20-14-8-6-13(16)7-9-14/h2-9,15H,10,16H2,1H3
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PC cid
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UniChem

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PCBioAssay
n/an/a 1.69E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CJ8BXT
More data for this
Ligand-Target Pair