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SMILES: Cn1cnc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1

InChI Key: InChIKey=WWNTZNJRZKYEDT-UHFFFAOYSA-N

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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 = 50032751   
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 8


(Homo sapiens (Human))
BDBM50032751
PNG
(CHEMBL3355173)
Show SMILES Cn1cnc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1
Show InChI InChI=1S/C20H17ClN8O2/c1-28-12-22-19(27-28)26-18(30)13-5-4-6-15(9-13)29-11-14(10-23-29)24-20(31)25-17-8-3-2-7-16(17)21/h2-12H,1H3,(H2,24,25,31)(H,26,27,30)
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 5.39E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50032751
PNG
(CHEMBL3355173)
Show SMILES Cn1cnc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)n1
Show InChI InChI=1S/C20H17ClN8O2/c1-28-12-22-19(27-28)26-18(30)13-5-4-6-15(9-13)29-11-14(10-23-29)24-20(31)25-17-8-3-2-7-16(17)21/h2-12H,1H3,(H2,24,25,31)(H,26,27,30)
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 594n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair