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SMILES: O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12

InChI Key: InChIKey=CNXZBVFXBIHCNH-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 = 37386   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37386
PNG
(2-keto-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[...)
Show SMILES O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H19N5O4S/c26-20-21-16-10-9-15(12-17(16)29-20)30(27,28)24-14-7-5-13(6-8-14)19-23-22-18-4-2-1-3-11-25(18)19/h5-10,12,24H,1-4,11H2,(H,21,26)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>4.98E+4n/an/an/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 (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM37386
PNG
(2-keto-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[...)
Show SMILES O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H19N5O4S/c26-20-21-16-10-9-15(12-17(16)29-20)30(27,28)24-14-7-5-13(6-8-14)19-23-22-18-4-2-1-3-11-25(18)19/h5-10,12,24H,1-4,11H2,(H,21,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM37386
PNG
(2-keto-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[...)
Show SMILES O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H19N5O4S/c26-20-21-16-10-9-15(12-17(16)29-20)30(27,28)24-14-7-5-13(6-8-14)19-23-22-18-4-2-1-3-11-25(18)19/h5-10,12,24H,1-4,11H2,(H,21,26)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.00E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair