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 = 'BDBM50233586'   

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))	BDBM50233586 (2-hydroxy-3-(2-(1-(5-(hydroxymethyl)furan-2-yl)pro...) Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1 |w:2.2| Show InChI InChI=1S/C21H23N3O6/c1-4-13(15-9-8-11(10-25)30-15)22-16-17(20(28)19(16)27)23-14-7-5-6-12(18(14)26)21(29)24(2)3/h5-9,13,22-23,25-26H,4,10H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of CXCR1				Bioorg Med Chem Lett 18: 1318-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.024 BindingDB Entry DOI: 10.7270/Q2PV6K33
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