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SMILES: Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1C1CC1

InChI Key: InChIKey=SVIZILSXAQTEQC-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 = 50340626   
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))
BDBM50340626
PNG
(8-cyclopropyl-7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1C1CC1
Show InChI InChI=1S/C27H27N9O/c1-34-16-20(15-30-34)23-9-4-19-14-28-26(32-25(19)24(23)18-2-3-18)31-21-5-7-22(8-6-21)36-17-29-27(33-36)35-10-12-37-13-11-35/h4-9,14-18H,2-3,10-13H2,1H3,(H,28,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/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))
BDBM50340626
PNG
(8-cyclopropyl-7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1C1CC1
Show InChI InChI=1S/C27H27N9O/c1-34-16-20(15-30-34)23-9-4-19-14-28-26(32-25(19)24(23)18-2-3-18)31-21-5-7-22(8-6-21)36-17-29-27(33-36)35-10-12-37-13-11-35/h4-9,14-18H,2-3,10-13H2,1H3,(H,28,31,32)
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 20n/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