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SMILES: COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1

InChI Key: InChIKey=MKLADHJBTFAUQJ-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 2 hits for monomerid = 43581   
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
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM43581
PNG
(MLS000116547 | N-cyclohexyl-2-[[5-(2-methoxyphenyl...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1
Show InChI InChI=1S/C17H21N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.57E+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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [702-738,740-752]


(Homo sapiens (Human))
BDBM43581
PNG
(MLS000116547 | N-cyclohexyl-2-[[5-(2-methoxyphenyl...)
Show SMILES COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1
Show InChI InChI=1S/C17H21N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.87E+3n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair