Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.5 BDBM50400923

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))	BDBM50400923 (CHEMBL2205063) Show SMILES CC(=O)c1cccc(c1)-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 |r,t:19,TLB:17:18:22:24| Show InChI InChI=1S/C27H34NO/c1-19(29)22-7-6-8-23(15-22)21-11-9-20(10-12-21)17-28(4,5)18-24-13-14-25-16-26(24)27(25,2)3/h6-13,15,25-26H,14,16-18H2,1-5H3/q+1/t25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells				Bioorg Med Chem 19: 3384-93 (2011) Article DOI: 10.1016/j.bmc.2011.04.035 BindingDB Entry DOI: 10.7270/Q2RB75RG
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