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 = 'BDBM50315290'   

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))	BDBM50315290 (CHEMBL1093008 | N-[(1H-Benzo[d]midazol-2-yl)methyl...) Show SMILES NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells expressing CD4 assessed as inhibition of SDF-1-induced Ca2+ signaling				Bioorg Med Chem Lett 21: 262-6 (2010) Article DOI: 10.1016/j.bmcl.2010.11.023 BindingDB Entry DOI: 10.7270/Q21N81D9
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50315290 (CHEMBL1093008 | N-[(1H-Benzo[d]midazol-2-yl)methyl...) Show SMILES NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12 Show InChI InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux				J Med Chem 53: 3376-88 (2010) Article DOI: 10.1021/jm100073m BindingDB Entry DOI: 10.7270/Q2GQ6XW9
					More data for this Ligand-Target Pair