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 = 'BDBM50327368'   

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))	BDBM50327368 (CHEMBL4167467) Show SMILES C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r| Show InChI InChI=1S/C26H29FN4O/c1-30(2)22-11-7-20(8-12-22)9-13-24-26(29-23-14-10-21(27)19-25(23)28-24)32-18-6-17-31-15-4-3-5-16-31/h7-8,10-12,14,19H,3-6,15-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+3	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 CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
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