Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM50115210'   

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))	BDBM50115210 (CHEMBL3609011 | USRE47740, Compound 19 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-13-2-4-15(5-3-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-8-6-16(21)7-9-17/h2-11,27-28H,12H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 (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
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50115210 (CHEMBL3609011 | USRE47740, Compound 19 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-13-2-4-15(5-3-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-8-6-16(21)7-9-17/h2-11,27-28H,12H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems Inc. US Patent					Assay Description An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release by treatment with compound 9 (IC50=586±91 nM). Briefly, human neu...				US Patent USRE48547 (2021) BindingDB Entry DOI: 10.7270/Q2SB48V7
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50115210 (CHEMBL3609011 | USRE47740, Compound 19 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C19H18BFN4O3/c1-25(12-13-2-4-15(5-3-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-8-6-16(21)7-9-17/h2-11,27-28H,12H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosystems Inc. US Patent					Assay Description Briefly, human neutrophils were suspended in HBSS− (without Ca2+ and Mg2+) containing 10 mM HEPES and FLIPR Calcium 3 dye (3.1×107 cells in tot...				US Patent USRE47740 (2019) BindingDB Entry DOI: 10.7270/Q21G0PM3
					More data for this Ligand-Target Pair