BDBM50383302 CHEMBL2029612

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

InChI Key: InChIKey=JHWYHVSQDNGAPR-XKKQCYTCSA-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 = 50383302   

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))	BDBM50383302 (CHEMBL2029612) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C37H50N10O5/c38-36(39)42-17-3-7-26-13-14-28(20-23-10-15-29(48)16-11-23)45-32(49)22-44-34(51)31(21-24-9-12-25-5-1-2-6-27(25)19-24)47-35(52)30(46-33(26)50)8-4-18-43-37(40)41/h1-2,5-6,9-12,15-16,19,26,28,30-31,48H,3-4,7-8,13-14,17-18,20-22H2,(H,44,51)(H,45,49)(H,46,50)(H,47,52)(H4,38,39,42)(H4,40,41,43)/t26-,28+,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF-1alpha from CXCR4 expressed in HEK293 cell membrane after 1 hr				J Med Chem 55: 2746-57 (2012) Article DOI: 10.1021/jm2016914 BindingDB Entry DOI: 10.7270/Q2FJ2HTW
					More data for this Ligand-Target Pair