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 = 'BDBM50028385'   

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))	BDBM50028385 (CHEMBL3342307) Show SMILES OC(=O)c1ccc(CSc2ccc(cn2)C(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H15FN2O3S/c21-16-6-8-17(9-7-16)23-19(24)15-5-10-18(22-11-15)27-12-13-1-3-14(4-2-13)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...				J Med Chem 57: 8378-97 (2014) Article DOI: 10.1021/jm500827t BindingDB Entry DOI: 10.7270/Q2FX7C22
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