Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 483.6 BDBM50349686

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))	BDBM50349686 (CHEMBL1809022) Show SMILES CN(C)Cc1cccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)c1 |r,c:15| Show InChI InChI=1S/C29H33N5O2/c1-32(2)17-19-7-5-8-22(13-19)31-29(36)34-18-21(28(35)33-11-3-4-12-33)14-24-23-9-6-10-25-27(23)20(16-30-25)15-26(24)34/h5-10,13-14,16,21,26,30H,3-4,11-12,15,17-18H2,1-2H3,(H,31,36)/t21-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	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
					More data for this Ligand-Target Pair