Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.6 BDBM50167780

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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50167780 (CHEMBL370482 | Decanoic acid {1-[3-(2-cyano-phenyl...) Show SMILES CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C#N |(12.7,-2.6,;11.37,-3.37,;10.04,-2.6,;8.71,-3.37,;7.37,-2.62,;6.04,-3.39,;4.71,-2.63,;3.37,-3.4,;2.04,-2.63,;.71,-3.4,;.71,-4.94,;-.63,-2.63,;-1.96,-3.41,;-3.31,-2.65,;-4.65,-3.42,;-4.63,-4.96,;-5.98,-2.65,;-.65,-1.08,;.69,-.31,;-1.98,-.33,;-3.31,-1.11,;-4.65,-.34,;-6,-1.11,;-7.33,-.34,;-7.33,1.21,;-6,1.98,;-4.65,1.21,;-3.34,1.99,;-3.34,3.55,;-1.99,1.23,;-.67,2,;.68,1.23,;2.01,2.01,;2,3.55,;.65,4.32,;-.67,3.55,;-1.77,4.65,;-2.87,5.74,)| Show InChI InChI=1S/C31H41N5O2/c1-5-6-7-8-9-10-11-20-29(37)35(22-21-34(3)4)24(2)30-33-27-18-14-13-17-26(27)31(38)36(30)28-19-15-12-16-25(28)23-32/h12-19,24H,5-11,20-22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory concentration against CX3C chemokine receptor 3 expressed in human HEK-293 cells using [125I]-CXCL10 as radioligand				Bioorg Med Chem Lett 15: 2910-3 (2005) Article DOI: 10.1016/j.bmcl.2005.03.070 BindingDB Entry DOI: 10.7270/Q21V5DH4
					More data for this Ligand-Target Pair