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 = 'BDBM50449936'   

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))	BDBM50449936 (CHEMBL4169875) Show SMILES CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C29H36N6/c1-33(27-11-4-7-22-9-6-14-31-29(22)27)21-24-19-25-23(20-32-24)8-5-10-26(25)34-15-17-35(18-16-34)28-12-2-3-13-30-28/h2-3,5-6,8-10,12-14,24,27,32H,4,7,11,15-21H2,1H3/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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 SDF-1alpha-induced calcium release preincubated for 25 mins followed b...				J Med Chem 61: 7168-7188 (2018) Article DOI: 10.1021/acs.jmedchem.8b00450 BindingDB Entry DOI: 10.7270/Q2GH9MJ5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50449936 (CHEMBL4169875) Show SMILES CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C29H36N6/c1-33(27-11-4-7-22-9-6-14-31-29(22)27)21-24-19-25-23(20-32-24)8-5-10-26(25)34-15-17-35(18-16-34)28-12-2-3-13-30-28/h2-3,5-6,8-10,12-14,24,27,32H,4,7,11,15-21H2,1H3/t24-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of calcium release incubated for 25 mins by calcium flux assay				J Med Chem 61: 7168-7188 (2018) Article DOI: 10.1021/acs.jmedchem.8b00450 BindingDB Entry DOI: 10.7270/Q2GH9MJ5
					More data for this Ligand-Target Pair