Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM50247627'   

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))	BDBM50247627 (CHEMBL4089763) Show SMILES Cc1cc(NC2CCN(CC2)C(=O)CCNCCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C31H53N11O3/c1-24-21-28(37-26-11-19-41(20-12-26)29(43)9-16-33-17-10-30(44)45)38-31(36-24)35-22-27-23-42(40-39-27)18-6-14-32-13-5-15-34-25-7-3-2-4-8-25/h21,23,25-26,32-34H,2-20,22H2,1H3,(H,44,45)(H2,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
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