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BDBM76427 MLS000326042::N'-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-nitropyridin-2-yl)ethane-1,2-diamine::N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine::N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-nitropyridin-2-yl)ethane-1,2-diamine::N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine::SMR000170132::[3-chloro-5-(trifluoromethyl)-2-pyridyl]-[2-[(3-nitro-2-pyridyl)amino]ethyl]amine::cid_3773884

SMILES: [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F

InChI Key: InChIKey=ZVZGCHWOUJKNOM-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 76427   
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
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76427
PNG
(MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...)
Show SMILES [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H11ClF3N5O2/c14-9-6-8(13(15,16)17)7-21-11(9)19-4-5-20-12-10(22(23)24)2-1-3-18-12/h1-3,6-7H,4-5H2,(H,18,20)(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.33E+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/Q2MS3R7H
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM76427
PNG
(MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...)
Show SMILES [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H11ClF3N5O2/c14-9-6-8(13(15,16)17)7-21-11(9)19-4-5-20-12-10(22(23)24)2-1-3-18-12/h1-3,6-7H,4-5H2,(H,18,20)(H,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.75E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76427
PNG
(MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...)
Show SMILES [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H11ClF3N5O2/c14-9-6-8(13(15,16)17)7-21-11(9)19-4-5-20-12-10(22(23)24)2-1-3-18-12/h1-3,6-7H,4-5H2,(H,18,20)(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.87E+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/Q2RJ4GZT
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76427
PNG
(MLS000326042 | N'-[3-chloranyl-5-(trifluoromethyl)...)
Show SMILES [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C13H11ClF3N5O2/c14-9-6-8(13(15,16)17)7-21-11(9)19-4-5-20-12-10(22(23)24)2-1-3-18-12/h1-3,6-7H,4-5H2,(H,18,20)(H,19,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.91E+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/Q27H1H10
More data for this
Ligand-Target Pair