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BDBM15916 2-pyridinecarboxamide deriv. 8f::4-(5-{[(4-Amino-5-cyano-6-ethoxy-pyridine-2-carbonyl)-amino]-methyl}-pyridin-2-yl)-benzoic acid::4-(5-{[(4-amino-5-cyano-6-ethoxypyridin-2-yl)formamido]methyl}pyridin-2-yl)benzoic acid

SMILES: CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=JPSDPJFIFFHAFG-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 15916   
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 9


(Homo sapiens (Human))
BDBM15916
PNG
(2-pyridinecarboxamide deriv. 8f | 4-(5-{[(4-Amino-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19N5O4/c1-2-31-21-16(10-23)17(24)9-19(27-21)20(28)26-12-13-3-8-18(25-11-13)14-4-6-15(7-5-14)22(29)30/h3-9,11H,2,12H2,1H3,(H2,24,27)(H,26,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/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
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM15916
PNG
(2-pyridinecarboxamide deriv. 8f | 4-(5-{[(4-Amino-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C22H19N5O4/c1-2-31-21-16(10-23)17(24)9-19(27-21)20(28)26-12-13-3-8-18(25-11-13)14-4-6-15(7-5-14)22(29)30/h3-9,11H,2,12H2,1H3,(H2,24,27)(H,26,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/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