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Marvin 2D Structure

Wt: 379.3
BDBM26057

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

Found 6 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of JNK1 by TR-FRET assay				Bioorg Med Chem 18: 590-6 (2010) Article DOI: 10.1016/j.bmc.2009.12.013 BindingDB Entry DOI: 10.7270/Q25M65TG
Institute for Medical Research Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	22
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				Proc Natl Acad Sci U S A 105: 16809-13 (2008) Article DOI: 10.1073/pnas.0805677105 BindingDB Entry DOI: 10.7270/Q22N50K9
Burnham Institute for Medical Research					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1				J Med Chem 53: 3005-12 (2010) Article DOI: 10.1021/jm9003279 BindingDB Entry DOI: 10.7270/Q2KS6RP5
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				Proc Natl Acad Sci U S A 105: 16809-13 (2008) Article DOI: 10.1073/pnas.0805677105 BindingDB Entry DOI: 10.7270/Q22N50K9
Burnham Institute for Medical Research					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay				Bioorg Med Chem 18: 590-6 (2010) Article DOI: 10.1016/j.bmc.2009.12.013 BindingDB Entry DOI: 10.7270/Q25M65TG
Institute for Medical Research Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of wild-type JNK2 by isothermal calorimetry				Bioorg Med Chem 18: 590-6 (2010) Article DOI: 10.1016/j.bmc.2009.12.013 BindingDB Entry DOI: 10.7270/Q25M65TG
Institute for Medical Research Curated by ChEMBL					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this search
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
JNK2/JNK3 (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)	GoogleScholar KEGG PDB	CHEBI PC cid PC sid		n/a	n/a	n/a	5.09	7.40	25
Burnham Institute for Medical Research		GoogleScholar KEGG PDB	CHEBI PC cid PC sid		Proc Natl Acad Sci U S A 105: 16809-13 (2008)
Mitogen-Activated Protein Kinase 9 (JNK2) Mutant (C162S) (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)	GoogleScholar PDB	CHEBI PC cid PC sid		n/a	n/a	n/a	4.29	7.40	25
Burnham Institute for Medical Research		GoogleScholar PDB	CHEBI PC cid PC sid		Proc Natl Acad Sci U S A 105: 16809-13 (2008)
Mitogen-Activated Protein Kinase 9 (JNK2) Mutant (R127A) (Homo sapiens (Human))	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)	GoogleScholar PDB	CHEBI PC cid PC sid		n/a	n/a	n/a	4.83	7.40	25
Burnham Institute for Medical Research		GoogleScholar PDB	CHEBI PC cid PC sid		Proc Natl Acad Sci U S A 105: 16809-13 (2008)