BDBM221715 US9314468, Table 7, Compound 2

SMILES: Cn1c(CN(CCCCN)C2CCCc3cccnc23)nnc1-c1ccccc1

InChI Key: InChIKey=IQXADRSWBMCYJU-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 = 221715   

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))	BDBM221715 (US9314468, Table 7, Compound 2) Show SMILES Cn1c(CN(CCCCN)C2CCCc3cccnc23)nnc1-c1ccccc1 Show InChI InChI=1S/C23H30N6/c1-28-21(26-27-23(28)19-9-3-2-4-10-19)17-29(16-6-5-14-24)20-13-7-11-18-12-8-15-25-22(18)20/h2-4,8-10,12,15,20H,5-7,11,13-14,16-17,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	37
Altiris Therapeutics, Inc. US Patent					Assay Description Functional modulation of CXCR4 was determined by calcium mobilization assay using leukemic lymphoid CEM cells, which naturally express high levels of...				US Patent US9314468 (2016) BindingDB Entry DOI: 10.7270/Q2DF6Q2P
					More data for this Ligand-Target Pair