Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.3 BDBM50400973

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))	BDBM50400973 (CHEMBL2205701) Show SMILES C[N+](C)(CCC12CC3CC(CC(C3)C1)C2)Cc1ccc(I)cc1 |TLB:4:5:8.7.12:10,THB:4:5:8:12.11.10,13:5:8:12.11.10,13:11:8:14.6.5,6:7:10:14.5.13,6:5:8.7.12:10| Show InChI InChI=1S/C21H31IN/c1-23(2,15-16-3-5-20(22)6-4-16)8-7-21-12-17-9-18(13-21)11-19(10-17)14-21/h3-6,17-19H,7-15H2,1-2H3/q+1	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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