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 = 'BDBM50398992'   

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))	BDBM50398992 (CHEMBL2180086) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C39H44N8O6/c40-39(41)42-18-6-11-30-36(51)46-31(22-26-12-15-27-9-4-5-10-28(27)19-26)35(50)43-23-34(49)44-32(21-25-13-16-29(48)17-14-25)37(52)47-33(38(53)45-30)20-24-7-2-1-3-8-24/h1-5,7-10,12-17,19,30-33,48H,6,11,18,20-23H2,(H,43,50)(H,44,49)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t30-,31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation...				J Med Chem 55: 10287-91 (2012) Article DOI: 10.1021/jm300926y BindingDB Entry DOI: 10.7270/Q23779T3
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50398992 (CHEMBL2180086) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C39H44N8O6/c40-39(41)42-18-6-11-30-36(51)46-31(22-26-12-15-27-9-4-5-10-28(27)19-26)35(50)43-23-34(49)44-32(21-25-13-16-29(48)17-14-25)37(52)47-33(38(53)45-30)20-24-7-2-1-3-8-24/h1-5,7-10,12-17,19,30-33,48H,6,11,18,20-23H2,(H,43,50)(H,44,49)(H,45,53)(H,46,51)(H,47,52)(H4,40,41,42)/t30-,31-,32+,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a
University of Troms£ Curated by ChEMBL					Assay Description Antagonist activity against human CXCR4 expressed in COS7 cells assessed as inhibition of CXCL12-induced myo-[3H]inositol production by scintillation...				J Med Chem 55: 10287-91 (2012) Article DOI: 10.1021/jm300926y BindingDB Entry DOI: 10.7270/Q23779T3
					More data for this Ligand-Target Pair