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SMILES: Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=AQGQGXJINFPOMP-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 3 hits for monomerid = 68156   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68156
PNG
(2-chloranyl-1-[2,5-dimethyl-1-(3-morpholin-4-ylsul...)
Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+4n/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))
BDBM68156
PNG
(2-chloranyl-1-[2,5-dimethyl-1-(3-morpholin-4-ylsul...)
Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.20E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68156
PNG
(2-chloranyl-1-[2,5-dimethyl-1-(3-morpholin-4-ylsul...)
Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+4n/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