Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 365.3 BDBM50578342

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50578342 (CHEMBL4861369) Show SMILES COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01716 BindingDB Entry DOI: 10.7270/Q22Z19CX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50578342 (CHEMBL4861369) Show SMILES COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01716 BindingDB Entry DOI: 10.7270/Q22Z19CX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Mus musculus)	BDBM50578342 (CHEMBL4861369) Show SMILES COc1ccc(Nc2ncc(C(N)=O)c(Nc3ccccc3)n2)cc1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of JNK1 in mouse RAW264.7 cells assessed as inhibition of c-Jun phosphorylation incubated for 30 mins by cellular assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01716 BindingDB Entry DOI: 10.7270/Q22Z19CX
					More data for this Ligand-Target Pair