Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1' and Ligand = 'BDBM50211461'   

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 1 (Homo sapiens (Human))	BDBM50211461 ((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(4-(4-morpholin...) Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(CCCCN2CCOCC2)co1 Show InChI InChI=1S/C28H36N4O6/c1-4-20(22-16-18(17-38-22)8-5-6-11-32-12-14-37-15-13-32)29-23-24(27(35)26(23)34)30-21-10-7-9-19(25(21)33)28(36)31(2)3/h7,9-10,16-17,20,29-30,33H,4-6,8,11-15H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA				Bioorg Med Chem Lett 17: 3778-83 (2007) Article DOI: 10.1016/j.bmcl.2007.04.016 BindingDB Entry DOI: 10.7270/Q25D8RH5
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