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SMILES: FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1

InChI Key: InChIKey=IOARIYKAASODPP-UHFFFAOYSA-N

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 6 hits for monomerid = 43037   
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 coactivator 1


(Homo sapiens (Human))
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
PDB
MMDB

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UniChem
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n/an/an/an/a 1.98E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
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n/an/an/an/a 3.63E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
KEGG

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antibodypedia
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UniChem
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n/an/a 4.72E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM43037
PNG
(3,6-bis(chloranyl)-1-[2-[[3-chloranyl-5-(trifluoro...)
Show SMILES FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
Show InChI InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)
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UniChem
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n/an/an/an/a 2.01E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair