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SMILES: COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1

InChI Key: InChIKey=DEPFXQSAHGKYPV-UHFFFAOYSA-N

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 2 hits for monomerid = 50358497   
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))
BDBM50358497
PNG
(CHEMBL1923217)
Show SMILES COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1
Show InChI InChI=1S/C18H15ClN4O3/c1-25-11-6-8-12(9-7-11)26-18-21-10-14(19)17(23-18)22-15-5-3-2-4-13(15)16(20)24/h2-10H,1H3,(H2,20,24)(H,21,22,23)
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 4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 using biotinylated-ATF2 as substrate by HTRF assay


Bioorg Med Chem Lett 21: 7072-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50358497
PNG
(CHEMBL1923217)
Show SMILES COc1ccc(Oc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1
Show InChI InChI=1S/C18H15ClN4O3/c1-25-11-6-8-12(9-7-11)26-18-21-10-14(19)17(23-18)22-15-5-3-2-4-13(15)16(20)24/h2-10H,1H3,(H2,20,24)(H,21,22,23)
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 7n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay


Bioorg Med Chem Lett 21: 7072-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.090
BindingDB Entry DOI: 10.7270/Q2V69K0W
More data for this
Ligand-Target Pair