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 = 'BDBM50115288'   

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))	BDBM50115288 (CHEMBL3609014) Show SMILES OB(O)c1ccc(CN(Cc2ccccn2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1 Show InChI InChI=1S/C24H21BFN5O3/c26-19-6-9-20(10-7-19)30-24(32)17-4-11-23(29-13-17)31(15-21-3-1-2-12-27-21)16-22-8-5-18(14-28-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)	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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