Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 465.5 BDBM50320140

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))	BDBM50320140 (CHEMBL1085998 | N-(cyclopropylmethyl)-4-((4-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)C(=O)NCC1CC1)Cc1cccnc1 Show InChI InChI=1S/C25H27N3O4S/c1-32-23-10-12-24(13-11-23)33(30,31)28(18-21-3-2-14-26-15-21)17-20-6-8-22(9-7-20)25(29)27-16-19-4-5-19/h2-3,6-15,19H,4-5,16-18H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs				Bioorg Med Chem Lett 20: 3614-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.113 BindingDB Entry DOI: 10.7270/Q2668DDX
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