Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.9 BDBM50235033

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))	BDBM50235033 (CHEMBL4100167) Show SMILES CC(C)n1ccc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc12 |r| Show InChI InChI=1S/C21H27ClN6/c1-13(2)28-11-10-16-19(24-15-7-5-6-14(22)12-15)26-21(27-20(16)28)25-18-9-4-3-8-17(18)23/h5-7,10-13,17-18H,3-4,8-9,23H2,1-2H3,(H2,24,25,26,27)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-33P]ATP after 40 mins by scintillation counter method				Bioorg Med Chem Lett 27: 406-412 (2017) Article DOI: 10.1016/j.bmcl.2016.12.056 BindingDB Entry DOI: 10.7270/Q27946ZF
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