Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 730.9 BDBM50159741

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))	BDBM50159741 (CHEMBL3785564) Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C45H54N4O5/c1-45(2,3)54-44(53)48-39(42(51)47-31-38(34-21-9-5-10-22-34)35-23-11-6-12-24-35)27-15-16-29-46-43(52)40-30-36-25-13-14-26-37(36)32-49(40)41(50)28-17-20-33-18-7-4-8-19-33/h4-14,18-19,21-26,38-40H,15-17,20,27-32H2,1-3H3,(H,46,52)(H,47,51)(H,48,53)/t39-,40-/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	8.51E+3	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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