BDBM50345532 CHEMBL1784357::N-(4-((4-(4-fluorophenyl)piperazin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide

SMILES: ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCOCC1

InChI Key: InChIKey=XAXGZPUPBCYAIE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50345532   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50345532 (CHEMBL1784357 | N-(4-((4-(4-fluorophenyl)piperazin...) Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCOCC1 Show InChI InChI=1S/C17H24FN3O5S/c18-15-1-3-16(4-2-15)19-7-9-20(10-8-19)27(24,25)13-17(21(23)14-22)5-11-26-12-6-17/h1-4,14,23H,5-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM50345532 (CHEMBL1784357 | N-(4-((4-(4-fluorophenyl)piperazin...) Show SMILES ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCOCC1 Show InChI InChI=1S/C17H24FN3O5S/c18-15-1-3-16(4-2-15)19-7-9-20(10-8-19)27(24,25)13-17(21(23)14-22)5-11-26-12-6-17/h1-4,14,23H,5-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ADAMTS-4 assessed as substrate cleavage after 16 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3301-6 (2011) Article DOI: 10.1016/j.bmcl.2011.04.028 BindingDB Entry DOI: 10.7270/Q2P55NVH
					More data for this Ligand-Target Pair