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 = 'BDBM50443550'   

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))	BDBM50443550 (CHEMBL3091692) Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50443550 (CHEMBL3091692) Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1CC(=O)N1CCOCC1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C29H41N5O2/c30-12-3-4-14-33(27-11-5-9-23-10-6-13-31-29(23)27)21-26-19-24-7-1-2-8-25(24)20-34(26)22-28(35)32-15-17-36-18-16-32/h1-2,6-8,10,13,26-27H,3-5,9,11-12,14-22,30H2/t26-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	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 Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay				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