BDBM50383300 CHEMBL2029610

SMILES: [#6]\[#6]-1=[#6](-[#6])/[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H]1-[#6]-c1ccc(-[#8])cc1

InChI Key: InChIKey=QRXBSCHWFCNZSX-MXRRXXMQSA-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 = 50383300   

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))	BDBM50383300 (CHEMBL2029610) Show SMILES [#6]\[#6]-1=[#6](-[#6])/[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc3ccccc3c2)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H]1-[#6]-c1ccc(-[#8])cc1 |r,t:1| Show InChI InChI=1S/C39H52N10O5/c1-23-24(2)32(20-25-12-15-29(50)16-13-25)47-34(51)22-46-36(53)33(21-26-11-14-27-7-3-4-8-28(27)19-26)49-37(54)31(10-6-18-45-39(42)43)48-35(52)30(23)9-5-17-44-38(40)41/h3-4,7-8,11-16,19,30-33,50H,5-6,9-10,17-18,20-22H2,1-2H3,(H,46,53)(H,47,51)(H,48,52)(H,49,54)(H4,40,41,44)(H4,42,43,45)/b24-23+/t30-,31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	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