Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 595.1 BDBM50605301

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50605301 (CHEMBL5178447) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM50605301 (CHEMBL5178447) Show SMILES CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(Cc2cn(C)c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114347 BindingDB Entry DOI: 10.7270/Q2PG1WTJ
					More data for this Ligand-Target Pair