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BDBM71503 ({[4-(dimethylamino)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane::1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonyl-urea::1-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylurea::1-[4-(dimethylamino)phenyl]-3-tosyl-urea::MLS001098045::SMR000657694::cid_2815701

SMILES: CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

InChI Key: InChIKey=GRIAZRCYPXFJJF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 71503   
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 receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM71503
PNG
(({[4-(dimethylamino)anilino]carbonyl}amino)(4-meth...)
Show SMILES CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
PDB
MMDB

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UniChem

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PCBioAssay
n/an/a 503n/an/an/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM71503
PNG
(({[4-(dimethylamino)anilino]carbonyl}amino)(4-meth...)
Show SMILES CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
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n/an/a 748n/an/an/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: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM71503
PNG
(({[4-(dimethylamino)anilino]carbonyl}amino)(4-meth...)
Show SMILES CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
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n/an/a 7.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM71503
PNG
(({[4-(dimethylamino)anilino]carbonyl}amino)(4-meth...)
Show SMILES CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PCBioAssay
n/an/a 7.02E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM71503
PNG
(({[4-(dimethylamino)anilino]carbonyl}amino)(4-meth...)
Show SMILES CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C16H19N3O3S/c1-12-4-10-15(11-5-12)23(21,22)18-16(20)17-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H2,17,18,20)
PDB
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n/an/a 1.81E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2930RSV
More data for this
Ligand-Target Pair