BDBM50187791 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(3-methoxypropanoyl)piperidine-4-carboxamide::CHEMBL377272

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

InChI Key: InChIKey=LIJQQAFTSYEDRO-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 = 50187791   

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))	BDBM50187791 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	891	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50187791 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)	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	6	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50187791 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)	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	24	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
Collagenase 3 (Homo sapiens (Human))	BDBM50187791 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				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))	BDBM50187791 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES COCCC(=O)N1CCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C21H28N2O7S/c1-3-4-14-30-17-5-7-18(8-6-17)31(27,28)16-21(20(25)22-26)10-12-23(13-11-21)19(24)9-15-29-2/h5-8,26H,9-16H2,1-2H3,(H,22,25)	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	4.70E+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