Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.6 BDBM50235039

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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50235039 (CHEMBL3108948) Show SMILES CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@@H]1CC[C@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1 |r,wU:24.24,22.21,15.15,12.11,wD:5.4,(11.93,-18.07,;11.89,-19.61,;13.2,-20.42,;14.55,-19.7,;13.15,-21.96,;11.79,-22.69,;10.48,-21.88,;11.74,-24.23,;13.05,-25.04,;14.41,-24.31,;14.46,-22.77,;15.72,-25.12,;17.05,-24.41,;18.34,-25.21,;19.68,-24.47,;19.73,-22.96,;21.1,-22.24,;22.42,-23.04,;23.76,-22.32,;23.79,-20.78,;25.1,-23.12,;26.44,-22.43,;27.76,-23.25,;27.7,-24.76,;29.02,-25.58,;29.75,-26.92,;28.21,-26.86,;30.36,-24.84,;30.41,-23.32,;30.98,-21.88,;31.91,-23.61,;29.12,-22.52,;18.44,-22.15,;17.11,-22.86,)| Show InChI InChI=1S/C27H42N2O5/c1-19(7-14-23-16-27(18-32-27)17-26(3,4)34-23)6-9-21-10-12-22(13-11-21)29-24(30)15-8-20(2)33-25(31)28-5/h6-8,14-15,20-23H,9-13,16-18H2,1-5H3,(H,28,31)(H,29,30)/b14-7+,15-8-,19-6+/t20-,21-,22+,23+,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of CLK mediated SF3B1 activation in human SK-MEL-2 cells assessed as MDM2-pre mRNA exon skipping after 4 hrs by luciferase reporter gene a...				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
					More data for this Ligand-Target Pair