Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.9 BDBM100525

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

Found 1 hit 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))	BDBM100525 (US8501732, I-85) Show SMILES Clc1ccc2c(c1)n(cc(CNC(=O)c1ccc(nc1)N1CCNCC1)c2=O)-c1ccccc1 Show InChI InChI=1S/C26H24ClN5O2/c27-20-7-8-22-23(14-20)32(21-4-2-1-3-5-21)17-19(25(22)33)16-30-26(34)18-6-9-24(29-15-18)31-12-10-28-11-13-31/h1-9,14-15,17,28H,10-13,16H2,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description In vitro JNK1 assay.				US Patent US8501732 (2013) BindingDB Entry DOI: 10.7270/Q2RF5SP9
					More data for this Ligand-Target Pair