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BDBM49285 5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-amine::MLS000097050::SMR000075700::cid_2951125::phenyl-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]amine

SMILES: Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1

InChI Key: InChIKey=INDCVHFFYIEZRU-UHFFFAOYSA-N

Data: 3 IC50  4 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 7 hits for monomerid = 49285   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/an/an/a 2.29E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
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n/an/a>1.00E+5n/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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
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n/an/a>1.00E+5n/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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

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UniChem
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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/Q23F4N80
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
PDB

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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
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
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UniChem
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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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM49285
PNG
(5-(4-methylphenyl)-N-phenyl-1H-1,2,4-triazol-3-ami...)
Show SMILES Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
Show InChI InChI=1S/C15H14N4/c1-11-7-9-12(10-8-11)14-17-15(19-18-14)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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UniChem
PCBioAssay
n/an/a 4.04E+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