Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM221876'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM221876 (US9314468, Table 8, Compound 14 | US9314468, Table...) Show SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12 Show InChI InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM221876 (US9314468, Table 8, Compound 14 | US9314468, Table...) Show SMILES OCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12 Show InChI InChI=1S/C30H38N6O/c37-21-20-36-27-9-2-1-8-24(27)25-11-13-32-26(30(25)36)22-35(17-5-16-34-18-14-31-15-19-34)28-10-3-6-23-7-4-12-33-29(23)28/h1-2,4,7-9,11-13,28,31,37H,3,5-6,10,14-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	56	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