Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 609.0 BDBM50446638

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))	BDBM50446638 (CHEMBL3116489) Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C26H32ClF3N10O2/c1-3-15-14-39(22-20(26(28,29)30)34-18(13-33-22)23-36-37-25(42-23)32-4-2)11-12-40(15)16-7-9-38(10-8-16)24(41)17-5-6-19(27)35-21(17)31/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,31,35)(H,32,37)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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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