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 = 'BDBM50248592'   

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))	BDBM50248592 ((R)-3-(4-(1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimeth...) Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3CCCc3c2)C(C)(C)C)c1O |r| Show InChI InChI=1S/C25H31N5O2S/c1-25(2,3)21(17-13-12-15-8-6-9-16(15)14-17)27-23-22(28-33-29-23)26-19-11-7-10-18(20(19)31)24(32)30(4)5/h7,10-14,21,31H,6,8-9H2,1-5H3,(H,26,28)(H,27,29)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	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 IL8 from CXCR1 receptor (unknown origin)				Bioorg Med Chem Lett 19: 1434-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.027 BindingDB Entry DOI: 10.7270/Q2833RW1
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