BDBM50202348 CHEMBL375993::cyclo(-D-MeTyr-D-Arg-L-Arg-L-Nal-Gly-)

SMILES: [#6]-[#7]-1-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O

InChI Key: InChIKey=KKHZUKILPGNUFR-RRGQHJHPSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50202348   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 4 (CXCR4) (Homo sapiens (Human))	BDBM50202348 (CHEMBL375993 | cyclo(-D-MeTyr-D-Arg-L-Arg-L-Nal-Gl...) Show SMILES [#6]-[#7]-1-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-1=O |r| Show InChI InChI=1S/C37H49N11O6/c1-48-30(20-22-11-14-26(49)15-12-22)34(53)44-21-31(50)45-29(19-23-10-13-24-6-2-3-7-25(24)18-23)33(52)46-27(8-4-16-42-36(38)39)32(51)47-28(35(48)54)9-5-17-43-37(40)41/h2-3,6-7,10-15,18,27-30,49H,4-5,8-9,16-17,19-21H2,1H3,(H,44,53)(H,45,50)(H,46,52)(H,47,51)(H4,38,39,42)(H4,40,41,43)/t27-,28+,29-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of [125I]SDF1 binding to CXCR4 transfected in CHO cells				J Med Chem 50: 192-8 (2007) Article DOI: 10.1021/jm0607350 BindingDB Entry DOI: 10.7270/Q25M65D3
					More data for this Ligand-Target Pair