BDBM50202372 CHEMBL375168::cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Pic-)

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O

InChI Key: InChIKey=OGLLNRFCXLYAMK-IJLINHMISA-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 = 50202372   

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))	BDBM50202372 (CHEMBL375168 | cyclo(-D-Tyr-L-Arg-L-Arg-L-Nal-D-Pi...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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