Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 774.9 BDBM50159743

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))	BDBM50159743 (CHEMBL3786577) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H54N4O7/c1-46(2,3)57-45(55)49-39(43(53)48-30-38(32-15-7-5-8-16-32)33-17-9-6-10-18-33)21-13-14-28-47-44(54)40-29-35-19-11-12-20-36(35)31-50(40)42(52)27-26-41(51)34-22-24-37(56-4)25-23-34/h5-12,15-20,22-25,38-40H,13-14,21,26-31H2,1-4H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.03E+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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