Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 270.4 BDBM50400006

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))	BDBM50400006 (CHEMBL2181453) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccccc1)=CC2 |r,c:19| Show InChI InChI=1S/C19H28N/c1-19(2)17-11-10-16(18(19)12-17)14-20(3,4)13-15-8-6-5-7-9-15/h5-10,17-18H,11-14H2,1-4H3/q+1/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells				J Med Chem 55: 10572-83 (2012) Article DOI: 10.1021/jm301240t BindingDB Entry DOI: 10.7270/Q27P90J8
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50400006 (CHEMBL2181453) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccccc1)=CC2 |r,c:19| Show InChI InChI=1S/C19H28N/c1-19(2)17-11-10-16(18(19)12-17)14-20(3,4)13-15-8-6-5-7-9-15/h5-10,17-18H,11-14H2,1-4H3/q+1/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells				Bioorg Med Chem 19: 3384-93 (2011) Article DOI: 10.1016/j.bmc.2011.04.035 BindingDB Entry DOI: 10.7270/Q2RB75RG
					More data for this Ligand-Target Pair