BDBM50337565 CHEMBL1682858::rac-N1-((4,6-dimethylpyridin-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

SMILES: Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc23)c1

InChI Key: InChIKey=YFAGKMFPCCCDTH-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 = 50337565   

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))	BDBM50337565 (CHEMBL1682858 | rac-N1-((4,6-dimethylpyridin-2-yl)...) Show SMILES Cc1cc(C)nc(CN(CCCCN)C2CCCc3cccnc23)c1 Show InChI InChI=1S/C21H30N4/c1-16-13-17(2)24-19(14-16)15-25(12-4-3-10-22)20-9-5-7-18-8-6-11-23-21(18)20/h6,8,11,13-14,20H,3-5,7,9-10,12,15,22H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium signaling				Bioorg Med Chem Lett 21: 1414-8 (2011) Article DOI: 10.1016/j.bmcl.2011.01.021 BindingDB Entry DOI: 10.7270/Q2FT8M9F
					More data for this Ligand-Target Pair