BDBM50443555 CHEMBL3091676

SMILES: NCCCCN(C[C@H]1NCCc2ccccc12)[C@H]1CCCc2cccnc12

InChI Key: InChIKey=UFBUAAGSLDNFTI-YADHBBJMSA-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 = 50443555   

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))	BDBM50443555 (CHEMBL3091676) Show SMILES NCCCCN(C[C@H]1NCCc2ccccc12)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C23H32N4/c24-13-3-4-16-27(22-11-5-8-19-9-6-14-26-23(19)22)17-21-20-10-2-1-7-18(20)12-15-25-21/h1-2,6-7,9-10,14,21-22,25H,3-5,8,11-13,15-17,24H2/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene ...				ACS Med Chem Lett 4: 1025-30 (2013) Article DOI: 10.1021/ml400183q BindingDB Entry DOI: 10.7270/Q2ZS2Z0K
					More data for this Ligand-Target Pair