Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.3 BDBM50598326

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
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM50598326 (CHEMBL5206892) Show SMILES CC(C)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c(Br)c1 Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114491 BindingDB Entry DOI: 10.7270/Q2BG2T1P
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50598326 (CHEMBL5206892) Show SMILES CC(C)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)c(Br)c1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114491 BindingDB Entry DOI: 10.7270/Q2BG2T1P
					More data for this Ligand-Target Pair