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BDBM50340627 7,8-bis(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-morpholino-1H-1,2,4-triazol-1-yl)phenyl)quinazolin-2-amine::CHEMBL1761582

SMILES: Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1-c1cnn(C)c1

InChI Key: InChIKey=YSXBDGQITSROHI-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50340627   
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))
BDBM50340627
PNG
(7,8-bis(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-morpholi...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1-c1cnn(C)c1
Show InChI InChI=1S/C28H27N11O/c1-36-16-20(14-31-36)24-8-3-19-13-29-27(34-26(19)25(24)21-15-32-37(2)17-21)33-22-4-6-23(7-5-22)39-18-30-28(35-39)38-9-11-40-12-10-38/h3-8,13-18H,9-12H2,1-2H3,(H,29,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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))
BDBM50340627
PNG
(7,8-bis(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-morpholi...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)N3CCOCC3)nc2c1-c1cnn(C)c1
Show InChI InChI=1S/C28H27N11O/c1-36-16-20(14-31-36)24-8-3-19-13-29-27(34-26(19)25(24)21-15-32-37(2)17-21)33-22-4-6-23(7-5-22)39-18-30-28(35-39)38-9-11-40-12-10-38/h3-8,13-18H,9-12H2,1-2H3,(H,29,33,34)
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9n/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