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 = 'BDBM50286783'   

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))	BDBM50286783 (CHEMBL4159607) Show SMILES C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	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 CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 ...				ACS Med Chem Lett 9: 89-93 (2018) Article DOI: 10.1021/acsmedchemlett.7b00406 BindingDB Entry DOI: 10.7270/Q2765HV5
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