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 = 'BDBM50100602'   

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))	BDBM50100602 (CHEMBL3327369) Show SMILES NC(=N)NCCC[C@H]1NC(=O)CCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C30H44N10O4/c31-29(32)36-15-5-9-22-27(43)39-23(10-6-16-37-30(33)34)28(44)40-24(26(42)35-14-4-3-11-25(41)38-22)18-19-12-13-20-7-1-2-8-21(20)17-19/h1-2,7-8,12-13,17,22-24H,3-6,9-11,14-16,18H2,(H,35,42)(H,38,41)(H,39,43)(H,40,44)(H4,31,32,36)(H4,33,34,37)/t22-,23+,24+/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))	BDBM50100602 (CHEMBL3327369) Show SMILES NC(=N)NCCC[C@H]1NC(=O)CCCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O |r| Show InChI InChI=1S/C30H44N10O4/c31-29(32)36-15-5-9-22-27(43)39-23(10-6-16-37-30(33)34)28(44)40-24(26(42)35-14-4-3-11-25(41)38-22)18-19-12-13-20-7-1-2-8-21(20)17-19/h1-2,7-8,12-13,17,22-24H,3-6,9-11,14-16,18H2,(H,35,42)(H,38,41)(H,39,43)(H,40,44)(H4,31,32,36)(H4,33,34,37)/t22-,23+,24+/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