BDBM50247624 CHEMBL4071355

SMILES: Cc1cc(NC2CCN(CC2)C(=O)CCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1

InChI Key: InChIKey=PXZVBQGVCPWUKU-UHFFFAOYSA-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 = 50247624   

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 (Homo sapiens (Human))	BDBM50247624 (CHEMBL4071355) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C30H50N10O3/c1-23-20-27(35-25-12-18-39(19-13-25)28(41)10-5-11-29(42)43)36-30(34-23)33-21-26-22-40(38-37-26)17-7-15-31-14-6-16-32-24-8-3-2-4-9-24/h20,22,24-25,31-32H,2-19,21H2,1H3,(H,42,43)(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair