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 = 'BDBM50226993'   

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))	BDBM50226993 (2-hydroxy-3-{4-[(R)-1-(4-isopropyl-furan-2-yl)-pro...) Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(co1)C(C)C Show InChI InChI=1S/C21H27N5O4S/c1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t15-,31?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	61	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 Binding affinity to CXCR1				Bioorg Med Chem Lett 18: 228-31 (2008) Article DOI: 10.1016/j.bmcl.2007.10.094 BindingDB Entry DOI: 10.7270/Q25B027K
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