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SMILES: CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=ZVDDPXIWKBBCQE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 15918   
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))
BDBM15918
PNG
(2-pyridinecarboxamide deriv. 12 | 4-Amino-5-chloro...)
Show SMILES CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H18ClN3O4S/c1-3-24-16-14(17)12(18)8-13(20-16)15(21)19-9-10-4-6-11(7-5-10)25(2,22)23/h4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,21)
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PubMed
n/an/a 24n/an/an/an/a7.220



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM15918
PNG
(2-pyridinecarboxamide deriv. 12 | 4-Amino-5-chloro...)
Show SMILES CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H18ClN3O4S/c1-3-24-16-14(17)12(18)8-13(20-16)15(21)19-9-10-4-6-11(7-5-10)25(2,22)23/h4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,21)
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 17: 495-500 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.013
BindingDB Entry DOI: 10.7270/Q2JQ10NQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15918
PNG
(2-pyridinecarboxamide deriv. 12 | 4-Amino-5-chloro...)
Show SMILES CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H18ClN3O4S/c1-3-24-16-14(17)12(18)8-13(20-16)15(21)19-9-10-4-6-11(7-5-10)25(2,22)23/h4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,21)
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Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 495-500 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.013
BindingDB Entry DOI: 10.7270/Q2JQ10NQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM15918
PNG
(2-pyridinecarboxamide deriv. 12 | 4-Amino-5-chloro...)
Show SMILES CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H18ClN3O4S/c1-3-24-16-14(17)12(18)8-13(20-16)15(21)19-9-10-4-6-11(7-5-10)25(2,22)23/h4-8H,3,9H2,1-2H3,(H2,18,20)(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
In vitro substrate phosphorylation using purified recombinant JNK, was incubated with substrate, and test compounds in the presence of 5uM ATP/ [gamm...


J Med Chem 49: 4455-8 (2006)


Article DOI: 10.1021/jm060465l
BindingDB Entry DOI: 10.7270/Q2ST7N3W
More data for this
Ligand-Target Pair