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SMILES: NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(cc2)N2CCNCC2)c1

InChI Key: InChIKey=UHNHUQMERWMFSO-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 50358529   
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))
BDBM50358529
PNG
(CHEMBL1923185)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(cc2)N2CCNCC2)c1
Show InChI InChI=1S/C22H23N5O2/c23-22(28)19-3-1-2-4-20(19)26-16-9-10-25-21(15-16)29-18-7-5-17(6-8-18)27-13-11-24-12-14-27/h1-10,15,24H,11-14H2,(H2,23,28)(H,25,26)
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 310n/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))
BDBM50358529
PNG
(CHEMBL1923185)
Show SMILES NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(cc2)N2CCNCC2)c1
Show InChI InChI=1S/C22H23N5O2/c23-22(28)19-3-1-2-4-20(19)26-16-9-10-25-21(15-16)29-18-7-5-17(6-8-18)27-13-11-24-12-14-27/h1-10,15,24H,11-14H2,(H2,23,28)(H,25,26)
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 70n/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