Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.9 BDBM50358634

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))	BDBM50358634 (CHEMBL1921883) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(=O)NC |r| Show InChI InChI=1S/C24H30ClF3N8O2/c1-3-14-13-35(21-19(24(26,27)28)32-17(12-31-21)22(37)30-2)10-11-36(14)15-6-8-34(9-7-15)23(38)16-4-5-18(25)33-20(16)29/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H2,29,33)(H,30,37)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells				Bioorg Med Chem Lett 21: 6982-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.120 BindingDB Entry DOI: 10.7270/Q2T72HVN
					More data for this Ligand-Target Pair