BDBM50197226 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyclopropylsulfonyl)-N-hydroxypiperidine-4-carboxamide::CHEMBL392505

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CC1)C(=O)NO

InChI Key: InChIKey=HQGORWGMKQFFGB-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 = 50197226   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50197226 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CC1)C(=O)NO Show InChI InChI=1S/C20H26N2O7S2/c1-2-3-14-29-16-4-6-17(7-5-16)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)18-8-9-18/h4-7,18,24H,8-15H2,1H3,(H,21,23)	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	161	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: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50197226 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CC1)C(=O)NO Show InChI InChI=1S/C20H26N2O7S2/c1-2-3-14-29-16-4-6-17(7-5-16)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)18-8-9-18/h4-7,18,24H,8-15H2,1H3,(H,21,23)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE in human whole blood assay				Bioorg Med Chem Lett 17: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50197226 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-1-(cyc...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C1CC1)C(=O)NO Show InChI InChI=1S/C20H26N2O7S2/c1-2-3-14-29-16-4-6-17(7-5-16)30(25,26)15-20(19(23)21-24)10-12-22(13-11-20)31(27,28)18-8-9-18/h4-7,18,24H,8-15H2,1H3,(H,21,23)	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	1.16E+3	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: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
					More data for this Ligand-Target Pair