Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.5 BDBM50400001

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

Found 3 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))	BDBM50400001 (CHEMBL2181451) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1F)=CC2 |r,c:27| Show InChI InChI=1S/C25H31FN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	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))	BDBM50400001 (CHEMBL2181451) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1F)=CC2 |r,c:27| Show InChI InChI=1S/C25H31FN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	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
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50400001 (CHEMBL2181451) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+](C)(C)Cc1ccc(cc1)-c1ccccc1F)=CC2 |r,c:27| Show InChI InChI=1S/C25H31FN/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26/h5-13,21,23H,14-17H2,1-4H3/q+1/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Agonist activity at CXCR3 expressed in HEK293 cells by [35S]GTPgamma binding assay				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