BDBM50197212 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(1,3,5-trimethyl-1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide::CHEMBL393750

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)C(=O)NO

InChI Key: InChIKey=UHWQCCAGEXNQTH-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 = 50197212   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50197212 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)C(=O)NO Show InChI InChI=1S/C23H30N4O7S2/c1-5-6-15-34-19-7-9-20(10-8-19)35(30,31)16-23(22(28)25-29)11-13-27(14-12-23)36(32,33)21-17(2)24-26(4)18(21)3/h7-10,29H,11-16H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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				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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50197212 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)C(=O)NO Show InChI InChI=1S/C23H30N4O7S2/c1-5-6-15-34-19-7-9-20(10-8-19)35(30,31)16-23(22(28)25-29)11-13-27(14-12-23)36(32,33)21-17(2)24-26(4)18(21)3/h7-10,29H,11-16H2,1-4H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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
Collagenase 3 (Homo sapiens (Human))	BDBM50197212 (4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydr...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C)C(=O)NO Show InChI InChI=1S/C23H30N4O7S2/c1-5-6-15-34-19-7-9-20(10-8-19)35(30,31)16-23(22(28)25-29)11-13-27(14-12-23)36(32,33)21-17(2)24-26(4)18(21)3/h7-10,29H,11-16H2,1-4H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	385	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