BDBM50213941 1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxypiperidine-3-carboxamide::CHEMBL399097

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO

InChI Key: InChIKey=JQJWNYAMOJOHCE-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 = 50213941   

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))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.65E+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 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	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	840	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 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	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	5.80	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 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	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	1.11E+3	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 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
					More data for this Ligand-Target Pair