Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.9 BDBM50413574

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))	BDBM50413574 (CHEMBL512678) Show SMILES Fc1cc(Cl)ccc1CN1CCC(CC1)NC1C2CC3CC1CN(C3)C2 |TLB:25:23:20:18.17.16,16:17:24:22.21.20,15:16:24.23.22:20,THB:25:17:24.23.22:20,16:21:24:18.25.17,(1.24,-51.04,;2.57,-50.28,;3.9,-51.05,;5.24,-50.28,;6.57,-51.05,;5.24,-48.73,;3.9,-47.97,;2.58,-48.74,;1.25,-47.97,;-.08,-48.74,;-1.43,-47.96,;-2.76,-48.74,;-2.76,-50.28,;-1.43,-51.05,;-.08,-50.28,;-4.12,-51.03,;-5.35,-50.1,;-6.77,-50.65,;-7.61,-49.48,;-7.65,-48.07,;-6.27,-47.51,;-5.33,-48.58,;-6.86,-48.07,;-8.33,-48.67,;-9.28,-47.43,;-8.33,-50.18,)| Show InChI InChI=1S/C21H29ClFN3/c22-18-2-1-15(20(23)9-18)11-25-5-3-19(4-6-25)24-21-16-7-14-8-17(21)13-26(10-14)12-16/h1-2,9,14,16-17,19,21,24H,3-8,10-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94E+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 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
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