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SMILES: COc1c(ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12)-c1cnn(C)c1

InChI Key: InChIKey=XNLNCNYXYAAOEA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50340629   
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
Transcription factor Jun


(Homo sapiens (Human))
BDBM50340629
PNG
(8-methoxy-7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-mor...)
Show SMILES COc1c(ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H25N9O2/c1-32-15-18(14-28-32)21-8-3-17-13-26-24(30-22(17)23(21)35-2)29-19-4-6-20(7-5-19)34-16-27-25(31-34)33-9-11-36-12-10-33/h3-8,13-16H,9-12H2,1-2H3,(H,26,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of c-Jun


Bioorg Med Chem Lett 21: 1719-23 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.079
BindingDB Entry DOI: 10.7270/Q2F1901V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50340629
PNG
(8-methoxy-7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-mor...)
Show SMILES COc1c(ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc12)-c1cnn(C)c1
Show InChI InChI=1S/C25H25N9O2/c1-32-15-18(14-28-32)21-8-3-17-13-26-24(30-22(17)23(21)35-2)29-19-4-6-20(7-5-19)34-16-27-25(31-34)33-9-11-36-12-10-33/h3-8,13-16H,9-12H2,1-2H3,(H,26,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 by HRTF


Bioorg Med Chem Lett 21: 1719-23 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.079
BindingDB Entry DOI: 10.7270/Q2F1901V
More data for this
Ligand-Target Pair