BDBM50187798 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hydroxy-N1-pentylpiperidine-1,4-dicarboxamide::CHEMBL212920

SMILES: CCCCCNC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO

InChI Key: InChIKey=QISXFHLASBPFBV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50187798   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50187798 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hyd...) Show SMILES CCCCCNC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H33N3O6S/c1-3-5-7-14-24-22(28)26-15-12-23(13-16-26,21(27)25-29)18-33(30,31)20-10-8-19(9-11-20)32-17-6-4-2/h8-11,29H,3,5,7,12-18H2,1-2H3,(H,24,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 16: 3927-31 (2006) Article DOI: 10.1016/j.bmcl.2006.05.026 BindingDB Entry DOI: 10.7270/Q2222TCJ
					More data for this Ligand-Target Pair