Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 581.1 BDBM50446636

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))	BDBM50446636 (CHEMBL3116491) Show SMILES CCNc1nnc(o1)-c1cnc(N2CCN([C@@H](CC)C2)C2CCN(CC2)C(=O)c2ccc(Cl)nc2N)c(n1)C1CC1 |r| Show InChI InChI=1S/C28H37ClN10O2/c1-3-18-16-38(25-23(17-5-6-17)33-21(15-32-25)26-35-36-28(41-26)31-4-2)13-14-39(18)19-9-11-37(12-10-19)27(40)20-7-8-22(29)34-24(20)30/h7-8,15,17-19H,3-6,9-14,16H2,1-2H3,(H2,30,34)(H,31,36)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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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