Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.9 BDBM50413582

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))	BDBM50413582 (CHEMBL469329) Show SMILES Fc1cc(Cl)ccc1NC(=O)N1CCC(CC1)NC1C2CC3CC(C2)CC1C3 |TLB:24:23:27:20.19.18,24:19:22.23.25:27,THB:18:19:22:25.26.27,18:26:22:20.24.19,17:18:22.23.25:27,(2.28,-43.49,;3.6,-42.69,;4.95,-43.42,;6.27,-42.61,;7.62,-43.35,;6.22,-41.07,;4.87,-40.34,;3.57,-41.15,;2.21,-40.41,;.9,-41.22,;.94,-42.76,;-.46,-40.49,;-1.77,-41.29,;-3.12,-40.56,;-3.18,-39.02,;-1.86,-38.21,;-.5,-38.94,;-4.53,-38.3,;-5.84,-39.11,;-5.9,-40.63,;-7.31,-40.94,;-8.62,-40.41,;-9.86,-41.65,;-8.35,-41.27,;-6.96,-41.88,;-8.3,-39.69,;-7.23,-38.49,;-8.59,-38.92,)| Show InChI InChI=1S/C22H29ClFN3O/c23-17-1-2-20(19(24)12-17)26-22(28)27-5-3-18(4-6-27)25-21-15-8-13-7-14(10-15)11-16(21)9-13/h1-2,12-16,18,21,25H,3-11H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	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 HEK293T cells				Bioorg Med Chem Lett 19: 2252-7 (2009) Article DOI: 10.1016/j.bmcl.2009.02.093 BindingDB Entry DOI: 10.7270/Q2DJ5GW6
					More data for this Ligand-Target Pair