BDBM221864 US9314468, Table 8, Compound 2

SMILES: NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)C1CCCc2cccnc12

InChI Key: InChIKey=LWLCPNMLRWYQTO-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 = 221864   

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))	BDBM221864 (US9314468, Table 8, Compound 2) Show SMILES NCCCCN(Cc1nccc2c3ccccc3n(CC#C)c12)C1CCCc2cccnc12 Show InChI InChI=1S/C28H31N5/c1-2-18-33-25-12-4-3-11-22(25)23-14-17-30-24(28(23)33)20-32(19-6-5-15-29)26-13-7-9-21-10-8-16-31-27(21)26/h1,3-4,8,10-12,14,16-17,26H,5-7,9,13,15,18-20,29H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Altiris Therapeutics, Inc. US Patent					Assay Description This assay measures the change in impedance that occurs when cells are stimulated with SDF-1a. Changes in shape and cytoskeleton result in a change o...				US Patent US9314468 (2016) BindingDB Entry DOI: 10.7270/Q2DF6Q2P
					More data for this Ligand-Target Pair