Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.5 BDBM50565651

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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50565651 (CHEMBL4777007) Show SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2CCCC(C)c12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112387 BindingDB Entry DOI: 10.7270/Q25M69GN
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50565651 (CHEMBL4777007) Show SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(O)cc2)sc2CCCC(C)c12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at CXCR2 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112387 BindingDB Entry DOI: 10.7270/Q25M69GN
					More data for this Ligand-Target Pair