BDBM50197223 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(1-morpholinopropan-2-ylsulfonyl)piperidine-4-carboxamide::CHEMBL234145

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)CN1CCOCC1)C(=O)NO

InChI Key: InChIKey=IYSKDTAJMOMROJ-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 = 50197223   

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))	BDBM50197223 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)CN1CCOCC1)C(=O)NO |w:24.26| Show InChI InChI=1S/C24H35N3O8S2/c1-3-4-15-35-21-5-7-22(8-6-21)36(30,31)19-24(23(28)25-29)9-11-27(12-10-24)37(32,33)20(2)18-26-13-16-34-17-14-26/h5-8,20,29H,9-19H2,1-2H3,(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	37	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))	BDBM50197223 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)CN1CCOCC1)C(=O)NO |w:24.26| Show InChI InChI=1S/C24H35N3O8S2/c1-3-4-15-35-21-5-7-22(8-6-21)36(30,31)19-24(23(28)25-29)9-11-27(12-10-24)37(32,33)20(2)18-26-13-16-34-17-14-26/h5-8,20,29H,9-19H2,1-2H3,(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	1.40	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))	BDBM50197223 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)CN1CCOCC1)C(=O)NO |w:24.26| Show InChI InChI=1S/C24H35N3O8S2/c1-3-4-15-35-21-5-7-22(8-6-21)36(30,31)19-24(23(28)25-29)9-11-27(12-10-24)37(32,33)20(2)18-26-13-16-34-17-14-26/h5-8,20,29H,9-19H2,1-2H3,(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	130	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