Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 4' and Ligand = 'BDBM50244243'   

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))	BDBM50244243 (5-[(1-Carbamimidoyl-piperidine-4-carbonyl)-amino]-...) Show SMILES NC(N)=NCCCn1c(cc2cc(NC(=O)C3CCN(CC3)C(N)=N)ccc12)C(=O)NCCc1c[nH]c2ccccc12 |(5.36,-49.95,;6.39,-48.8,;7.9,-49.12,;5.92,-47.34,;6.95,-46.19,;6.47,-44.73,;7.5,-43.58,;7.02,-42.12,;7.93,-40.86,;7.02,-39.61,;5.55,-40.09,;4.21,-39.32,;2.88,-40.09,;1.55,-39.32,;.22,-40.1,;.22,-41.64,;-1.12,-39.33,;-1.11,-37.78,;-2.44,-37.02,;-3.78,-37.78,;-3.78,-39.32,;-2.45,-40.1,;-5.11,-37,;-5.1,-35.46,;-6.44,-37.77,;2.88,-41.64,;4.22,-42.41,;5.55,-41.64,;9.47,-40.86,;10.25,-42.2,;10.24,-39.53,;11.78,-39.53,;12.55,-38.19,;14.09,-38.19,;15,-36.94,;16.47,-37.42,;16.47,-38.96,;17.6,-39.98,;17.29,-41.48,;15.83,-41.95,;14.69,-40.93,;15.01,-39.43,)| Show InChI InChI=1S/C30H38N10O2/c31-29(32)36-11-3-13-40-25-7-6-22(38-27(41)19-9-14-39(15-10-19)30(33)34)16-21(25)17-26(40)28(42)35-12-8-20-18-37-24-5-2-1-4-23(20)24/h1-2,4-7,16-19,37H,3,8-15H2,(H3,33,34)(H,35,42)(H,38,41)(H4,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Displacement of [125I]SDF1 from human CXCR4 expressed in CHO cells				Bioorg Med Chem Lett 18: 4124-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.092 BindingDB Entry DOI: 10.7270/Q2PN95FP
					More data for this Ligand-Target Pair