Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM50227009'   

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 2 (Homo sapiens (Human))	BDBM50227009 (3-(4-{[(R)-furan-2-yl-(1-methyl-cyclopropyl)-methy...) Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C2(C)CC2)c1O Show InChI InChI=1S/C20H23N5O4S/c1-20(9-10-20)16(14-8-5-11-29-14)22-18-17(23-30(28)24-18)21-13-7-4-6-12(15(13)26)19(27)25(2)3/h4-8,11,16,26H,9-10H2,1-3H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 CXCR2				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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