BDBM50187787 1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxypiperidine-4-carboxamide::CHEMBL209490

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO

InChI Key: InChIKey=YLPGDDBCDVVMDA-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50187787   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50187787 (1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO Show InChI InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,11-17H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway 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	327	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50187787 (1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO Show InChI InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,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 Patents Similars	Article PubMed	n/a	n/a	249	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))	BDBM50187787 (1-(but-2-ynyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC#CC)CC1)C(=O)NO Show InChI InChI=1S/C21H26N2O5S/c1-3-5-13-23-14-11-21(12-15-23,20(24)22-25)17-29(26,27)19-9-7-18(8-10-19)28-16-6-4-2/h7-10,25H,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 Patents Similars	Article PubMed	n/a	n/a	4.80	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