Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.5 BDBM644484

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
Casein kinase II subunit alpha [2-329] (Homo sapiens (Human))	BDBM644484 (5-(3-(4-((3-(Cyanomethyl)-5-fluorobenzyl)amino)but...) Show SMILES OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM644484 (5-(3-(4-((3-(Cyanomethyl)-5-fluorobenzyl)amino)but...) Show SMILES OC(=O)c1ccc2c(c1)nc(N1CC(C1)OCCCCNCc1cc(F)cc(CC#N)c1)c1ccncc21 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	78.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair