BDBM50113628 CHEMBL431511::[5-(4-Fluoro-phenylcarbamoyl)-pyridin-2-ylsulfanyl]-acetic acid methyl ester

SMILES: COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=SHLGVUBRPWNMLF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50113628   

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 1/2 (Homo sapiens (Human))	BDBM50113628 (CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...) Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Inhibition against GRO-alpha driven human neutrophil chemotaxis				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50113628 (CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...) Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Institute of Innovative Medicine Curated by ChEMBL					Assay Description Antagonist activity at CXCR2 in human neutrophils assessed as reduction in GRO-alpha mediated chemotaxis				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111853
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50113628 (CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...) Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2				Bioorg Med Chem Lett 12: 1517-20 (2002) BindingDB Entry DOI: 10.7270/Q2JM28ZD
					More data for this Ligand-Target Pair