BDBM50187781 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(butylsulfonyl)-N-hydroxypiperidine-4-carboxamide::CHEMBL379763

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

InChI Key: InChIKey=MXMCYIBSFFNNTF-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 = 50187781   

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))	BDBM50187781 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...) Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50187781 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...) Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)	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	44	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))	BDBM50187781 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...) Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)	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	2.20	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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50187781 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(but...) Show SMILES CCCCS(=O)(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H30N2O7S2/c1-3-5-15-30-18-7-9-19(10-8-18)31(26,27)17-21(20(24)22-25)11-13-23(14-12-21)32(28,29)16-6-4-2/h7-10,25H,4,6,11-17H2,1-2H3,(H,22,24)	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	19	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