Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.5 BDBM50412583

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))	BDBM50412583 (CHEMBL464921) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1nc3ccccc3s1)C(=O)C2 |r,THB:27:26:5.4:1| Show InChI InChI=1S/C21H27N3O3S2/c1-20(2)15-7-8-21(20,18(25)13-15)14-29(26,27)24-11-9-23(10-12-24)19-22-16-5-3-4-6-17(16)28-19/h3-6,15H,7-14H2,1-2H3/t15-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
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