Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 525.0 BDBM100622

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))	BDBM100622 (US8501732, I-182) Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC1)NC(=O)NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O |r,wU:11.14,wD:8.7,(11.34,5,;10,4.24,;10,2.69,;11.34,3.46,;8.67,5,;7.34,4.24,;7.34,2.69,;6,5,;4.67,4.24,;3.34,4.99,;2,4.24,;2,2.7,;3.34,1.94,;4.67,2.7,;.67,1.92,;-.67,2.7,;-.67,4.24,;-2,1.92,;-3.33,2.7,;-4.67,1.92,;-4.67,.39,;-6,-.39,;-6,-1.92,;-7.34,-2.69,;-7.34,-4.24,;-6,-5,;-4.67,-4.24,;-4.67,-2.69,;-7.34,.39,;-8.67,-.39,;-10,.39,;-11.34,-.39,;-10,1.92,;-8.67,2.7,;-7.34,1.92,;-6,2.7,;-6,4.24,)| Show InChI InChI=1S/C28H33ClN4O4/c1-28(2,3)37-27(36)32-21-12-10-20(11-13-21)31-26(35)30-16-18-17-33(22-7-5-4-6-8-22)24-15-19(29)9-14-23(24)25(18)34/h4-9,14-15,17,20-21H,10-13,16H2,1-3H3,(H,32,36)(H2,30,31,35)/t20-,21-	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	700	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