BDBM50213948 CHEMBL250093::methyl 3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-3-(hydroxycarbamoyl)piperidine-1-carboxylate

SMILES: COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO

InChI Key: InChIKey=RZISBFWRHNXABZ-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 = 50213948   

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))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	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	870	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
Collagenase 3 (Homo sapiens (Human))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	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	1.20E+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: 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))	BDBM50213948 (CHEMBL250093 | methyl 3-((4-(but-2-ynyloxy)phenyls...) Show SMILES COC(=O)N1CCCC(CS(=O)(=O)c2ccc(OCC#CC)cc2)(C1)C(=O)NO |w:8.8| Show InChI InChI=1S/C19H24N2O7S/c1-3-4-12-28-15-6-8-16(9-7-15)29(25,26)14-19(17(22)20-24)10-5-11-21(13-19)18(23)27-2/h6-9,24H,5,10-14H2,1-2H3,(H,20,22)	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	14	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