BDBM50187792 1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxypiperidine-4-carboxamide::CHEMBL210133

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO

InChI Key: InChIKey=BXOTYZMFPUKYAU-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 = 50187792   

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-9 (Homo sapiens (Human))	BDBM50187792 (1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)	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	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
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50187792 (1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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))	BDBM50187792 (1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)	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	3.10	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50187792 (1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)	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	65	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50187792 (1-(benzylsulfonyl)-4-((4-(but-2-ynyloxy)phenylsulf...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C24H28N2O7S2/c1-2-3-17-33-21-9-11-22(12-10-21)34(29,30)19-24(23(27)25-28)13-15-26(16-14-24)35(31,32)18-20-7-5-4-6-8-20/h4-12,28H,13-19H2,1H3,(H,25,27)	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	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