Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 607.0 BDBM50446629

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))	BDBM50446629 (CHEMBL3116498) Show SMILES CCNc1nnc(o1)-c1cnc(N2C[C@H](CC)N(C[C@H]2C)C2CCN(CC2)C(=O)c2ccc(Cl)cc2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C28H34ClF3N8O2/c1-4-20-16-39(24-23(28(30,31)32)35-22(14-34-24)25-36-37-27(42-25)33-5-2)17(3)15-40(20)21-10-12-38(13-11-21)26(41)18-6-8-19(29)9-7-18/h6-9,14,17,20-21H,4-5,10-13,15-16H2,1-3H3,(H,33,37)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CXCR3 receptor				Bioorg Med Chem Lett 24: 1085-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.009 BindingDB Entry DOI: 10.7270/Q2BZ67JQ
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