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BDBM50340607 7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)phenyl)quinazolin-2-amine::CHEMBL1761562

SMILES: Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1

InChI Key: InChIKey=XQHYPIHJXWTXPZ-UHFFFAOYSA-N

Data: 3 IC50

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 = 50340607   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50340607
PNG
(7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-(pyridin-2-yl...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1
Show InChI InChI=1S/C25H19N9/c1-33-15-19(14-29-33)17-5-6-18-13-27-25(31-23(18)12-17)30-20-7-9-21(10-8-20)34-16-28-24(32-34)22-4-2-3-11-26-22/h2-16H,1H3,(H,27,30,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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
Transcription factor AP-1


(Homo sapiens (Human))
BDBM50340607
PNG
(7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-(pyridin-2-yl...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1
Show InChI InChI=1S/C25H19N9/c1-33-15-19(14-29-33)17-5-6-18-13-27-25(31-23(18)12-17)30-20-7-9-21(10-8-20)34-16-28-24(32-34)22-4-2-3-11-26-22/h2-16H,1H3,(H,27,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/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 8


(Homo sapiens (Human))
BDBM50340607
PNG
(7-(1-methyl-1H-pyrazol-4-yl)-N-(4-(3-(pyridin-2-yl...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3)-n3cnc(n3)-c3ccccn3)nc2c1
Show InChI InChI=1S/C25H19N9/c1-33-15-19(14-29-33)17-5-6-18-13-27-25(31-23(18)12-17)30-20-7-9-21(10-8-20)34-16-28-24(32-34)22-4-2-3-11-26-22/h2-16H,1H3,(H,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 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