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 = 'BDBM50226995'   

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))	BDBM50226995 (3-[4-((R)-2,2-dimethyl-1-phenyl-propylamino)-1-oxo...) Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccccc2)C(C)(C)C)c1O Show InChI InChI=1S/C22H27N5O3S/c1-22(2,3)18(14-10-7-6-8-11-14)24-20-19(25-31(30)26-20)23-16-13-9-12-15(17(16)28)21(29)27(4)5/h6-13,18,28H,1-5H3,(H,23,25)(H,24,26)/t18-,31?/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	130	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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