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 = 'BDBM50115285'   

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))	BDBM50115285 (CHEMBL3609017) Show SMILES OB(O)c1ccc(CN(CC(O)=O)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1 Show InChI InChI=1S/C19H17BFN5O5/c21-14-2-5-15(6-3-14)25-18(29)12-7-23-19(24-8-12)26(11-17(27)28)10-16-4-1-13(9-22-16)20(30)31/h1-9,30-31H,10-11H2,(H,25,29)(H,27,28)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems Curated by ChEMBL					Assay Description Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...				Bioorg Med Chem Lett 25: 3793-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.090 BindingDB Entry DOI: 10.7270/Q2V989VF
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