BDBM50115217 CHEMBL3609005::USRE47740, Compound 18

SMILES: CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=XUGBIDQBQPMTPV-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50115217   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50115217 (CHEMBL3609005 | USRE47740, Compound 18 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-2-5-16(6-3-14)21(27)28)19-11-4-15(12-23-19)20(26)24-18-9-7-17(22)8-10-18/h2-12,27-28H,13H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	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) BindingDB Entry DOI: 10.7270/Q2V989VF
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50115217 (CHEMBL3609005 | USRE47740, Compound 18 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-2-5-16(6-3-14)21(27)28)19-11-4-15(12-23-19)20(26)24-18-9-7-17(22)8-10-18/h2-12,27-28H,13H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	247	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)
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50115217 (CHEMBL3609005 | USRE47740, Compound 18 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-2-5-16(6-3-14)21(27)28)19-11-4-15(12-23-19)20(26)24-18-9-7-17(22)8-10-18/h2-12,27-28H,13H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	247	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
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50115217 (CHEMBL3609005 | USRE47740, Compound 18 | USRE48547...) Show SMILES CN(Cc1ccc(cc1)B(O)O)c1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C20H19BFN3O3/c1-25(13-14-2-5-16(6-3-14)21(27)28)19-11-4-15(12-23-19)20(26)24-18-9-7-17(22)8-10-18/h2-12,27-28H,13H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+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) BindingDB Entry DOI: 10.7270/Q2V989VF
					More data for this Ligand-Target Pair