Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 435.5 BDBM50349685

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))	BDBM50349685 (CHEMBL1809032) Show SMILES CN(C)CCCNC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1 |r,c:12| Show InChI InChI=1S/C25H33N5O2/c1-28(2)10-6-9-26-25(32)30-16-18(24(31)29-11-3-4-12-29)13-20-19-7-5-8-21-23(19)17(15-27-21)14-22(20)30/h5,7-8,13,15,18,22,27H,3-4,6,9-12,14,16H2,1-2H3,(H,26,32)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of ITAC-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 4745-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.070 BindingDB Entry DOI: 10.7270/Q2VM4CN5
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