Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 322.3 BDBM50392855

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

Found 2 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 9 (Homo sapiens (Human))	BDBM50392855 (CHEMBL1969923) Show SMILES NC(=S)NN=C1NC(=O)C(S1)=Cc1ccc2OCOc2c1 |w:4.3,11.12| Show InChI InChI=1S/C12H10N4O3S2/c13-11(20)15-16-12-14-10(17)9(21-12)4-6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H3,13,15,20)(H,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 min...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50392855 (CHEMBL1969923) Show SMILES NC(=S)NN=C1NC(=O)C(S1)=Cc1ccc2OCOc2c1 |w:4.3,11.12| Show InChI InChI=1S/C12H10N4O3S2/c13-11(20)15-16-12-14-10(17)9(21-12)4-6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H3,13,15,20)(H,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of FITC-JIP peptide from human His-tagged JNK2alpha2 after 30 mins by fluorescence assay				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair