BDBM50187790 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexanoyl-N-hydroxypiperidine-4-carboxamide::CHEMBL212205

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

InChI Key: InChIKey=ZUMRSIZQUOZFGG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50187790   

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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50187790 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...) Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP14				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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50187790 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...) Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP9				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
Interstitial collagenase (Homo sapiens (Human))	BDBM50187790 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...) Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP1				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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50187790 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...) Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)	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	553	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP2				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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50187790 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-hexa...) Show SMILES CCCCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C23H32N2O6S/c1-3-5-7-8-21(26)25-15-13-23(14-16-25,22(27)24-28)18-32(29,30)20-11-9-19(10-12-20)31-17-6-4-2/h9-12,28H,3,5,7-8,13-18H2,1-2H3,(H,24,27)	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	1.80	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