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 = 'BDBM50100603'   

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))	BDBM50100603 (CHEMBL3327370) Show SMILES NC(=N)NCCC[C@H]1NC(=O)CCCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C31H46N10O4/c32-30(33)37-16-6-10-23-28(44)40-24(11-7-17-38-31(34)35)29(45)41-25(27(43)36-15-5-1-2-12-26(42)39-23)19-20-13-14-21-8-3-4-9-22(21)18-20/h3-4,8-9,13-14,18,23-25H,1-2,5-7,10-12,15-17,19H2,(H,36,43)(H,39,42)(H,40,44)(H,41,45)(H4,32,33,37)(H4,34,35,38)/t23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...				Bioorg Med Chem 22: 4759-69 (2014) Article DOI: 10.1016/j.bmc.2014.07.004 BindingDB Entry DOI: 10.7270/Q2XG9SVZ
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50100603 (CHEMBL3327370) Show SMILES NC(=N)NCCC[C@H]1NC(=O)CCCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C31H46N10O4/c32-30(33)37-16-6-10-23-28(44)40-24(11-7-17-38-31(34)35)29(45)41-25(27(43)36-15-5-1-2-12-26(42)39-23)19-20-13-14-21-8-3-4-9-22(21)18-20/h3-4,8-9,13-14,18,23-25H,1-2,5-7,10-12,15-17,19H2,(H,36,43)(H,39,42)(H,40,44)(H,41,45)(H4,32,33,37)(H4,34,35,38)/t23-,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Antagonist activity at human CXCR4 expressed in COS7 cells assessed as inhibition of [3H]inositol-phosphates formation after 90 mins by scintillation...				Bioorg Med Chem 22: 4759-69 (2014) Article DOI: 10.1016/j.bmc.2014.07.004 BindingDB Entry DOI: 10.7270/Q2XG9SVZ
					More data for this Ligand-Target Pair