BDBM15926 Aminopyridine-Based Inhibitor 6e::N-(4-Amino-5-cyano-6-ethoxypyridin-2-yl)-2-phenylacetamide

SMILES: CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N

InChI Key: InChIKey=MPULMLDKNWNYOT-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 4 hits for monomerid = 15926   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15926 (Aminopyridine-Based Inhibitor 6e | N-(4-Amino-5-cy...) Show SMILES CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	7.2	20
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: 3563-80 (2006) Article DOI: 10.1021/jm060199b BindingDB Entry DOI: 10.7270/Q2P26WDX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15926 (Aminopyridine-Based Inhibitor 6e | N-(4-Amino-5-cy...) Show SMILES CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA				ACS Med Chem Lett 3: 560-564 (2012) Article DOI: 10.1021/ml3000879 BindingDB Entry DOI: 10.7270/Q2RV0PZW
					More data for this Ligand-Target Pair
40S ribosomal protein S27 (Homo sapiens (Human))	BDBM15926 (Aminopyridine-Based Inhibitor 6e | N-(4-Amino-5-cy...) Show SMILES CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				ACS Med Chem Lett 3: 560-564 (2012) Article DOI: 10.1021/ml3000879 BindingDB Entry DOI: 10.7270/Q2RV0PZW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM15926 (Aminopyridine-Based Inhibitor 6e | N-(4-Amino-5-cy...) Show SMILES CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/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: 3563-80 (2006) Article DOI: 10.1021/jm060199b BindingDB Entry DOI: 10.7270/Q2P26WDX
					More data for this Ligand-Target Pair