Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 391.5 BDBM50400920

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))	BDBM50400920 (CHEMBL2205066) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)=CC2 |r,c:29,THB:7:6:4:1| Show InChI InChI=1S/C25H31N2O2/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(14-20)26(28)29/h5-12,14,22,24H,13,15-17H2,1-4H3/q+1/t22-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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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