BDBM26057 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4H-1,2,4-triazol-3-ol::BI-78D3

SMILES: [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1

InChI Key: InChIKey=QFRLDZGQEZCCJZ-UHFFFAOYSA-N

Data: 5 IC50  1 Kd  3 ITC

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 6 hits for monomerid = 26057   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 8 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	7.8	0
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	280	n/a	n/a	n/a	n/a	7.5	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 26057

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
JNK2/JNK3 (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)	GoogleScholar			n/a	n/a	n/a	5.09	7.40	25
TBA					Details of this binding reaction
Mitogen-Activated Protein Kinase 9 (JNK2) Mutant (R127A) (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)	GoogleScholar			n/a	n/a	n/a	4.83	7.40	25
TBA					Details of this binding reaction
Mitogen-Activated Protein Kinase 9 (JNK2) Mutant (C162S) (Human)	BDBM26057 (4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5-nitro-1...)	GoogleScholar			n/a	n/a	n/a	4.29	7.40	25
TBA					Details of this binding reaction