Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 762.9 BDBM50159740

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))	BDBM50159740 (CHEMBL3786522) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccc(F)cc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C45H51FN4O6/c1-45(2,3)56-44(55)49-38(42(53)48-29-37(31-14-6-4-7-15-31)32-16-8-5-9-17-32)20-12-13-27-47-43(54)39-28-34-18-10-11-19-35(34)30-50(39)41(52)26-25-40(51)33-21-23-36(46)24-22-33/h4-11,14-19,21-24,37-39H,12-13,20,25-30H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t38-,39-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	513	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay				J Med Chem 59: 2222-43 (2016) Article DOI: 10.1021/acs.jmedchem.5b01965 BindingDB Entry DOI: 10.7270/Q2T72KBR
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