Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.3 BDBM50515271Purchase

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 10 (Homo sapiens (Human))	BDBM50515271 (CHEMBL4551217) Show SMILES Brc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C21H12BrN3O2S/c22-12-8-9-16-14(10-12)17(19(26)23-16)18-20(27)25-21(28-18)24-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,23,26)(H,24,25,27)/b18-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length JNK3 using ATF2 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation countin...				J Med Chem 62: 6645-6664 (2019) Article DOI: 10.1021/acs.jmedchem.9b00537 BindingDB Entry DOI: 10.7270/Q2SF30H3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50515271 (CHEMBL4551217) Show SMILES Brc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C21H12BrN3O2S/c22-12-8-9-16-14(10-12)17(19(26)23-16)18-20(27)25-21(28-18)24-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,23,26)(H,24,25,27)/b18-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2 using ATF2 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis				J Med Chem 62: 6645-6664 (2019) Article DOI: 10.1021/acs.jmedchem.9b00537 BindingDB Entry DOI: 10.7270/Q2SF30H3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50515271 (CHEMBL4551217) Show SMILES Brc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N/c3cccc4ccccc34)c2c1 Show InChI InChI=1S/C21H12BrN3O2S/c22-12-8-9-16-14(10-12)17(19(26)23-16)18-20(27)25-21(28-18)24-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,23,26)(H,24,25,27)/b18-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human JNK1alpha1 using ATF2 as substrate measured after 40 mins in presence of [gamma33P]ATP by scintillation counting analysis				J Med Chem 62: 6645-6664 (2019) Article DOI: 10.1021/acs.jmedchem.9b00537 BindingDB Entry DOI: 10.7270/Q2SF30H3
					More data for this Ligand-Target Pair