Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 351.4 BDBM50249773

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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50249773 (CHEMBL4763099) Show SMILES CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1 Show InChI InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50249773 (CHEMBL4763099) Show SMILES CN1CCN(CCCNc2ncc3cc4cnccc4c(N)c3n2)CC1 Show InChI InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.01.052 BindingDB Entry DOI: 10.7270/Q2BZ69NW
					More data for this Ligand-Target Pair