Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 555.0 BDBM50446639

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))	BDBM50446639 (CHEMBL3116488) Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(C)n1 |r| Show InChI InChI=1S/C26H35ClN10O2/c1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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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