BDBM50131530 2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenylsulfonamido)-N-hydroxyacetamide::2-[(4-But-2-ynyloxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-N-hydroxy-acetamide::CHEMBL92927

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1

InChI Key: InChIKey=ZOPDCQZNGWSOLM-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50131530   

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))	BDBM50131530 (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotein-9				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50131530 (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(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	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50131530 (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(H,20,22)	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	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair				3D Structure (docked)
Collagenase 3 (Homo sapiens (Human))	BDBM50131530 (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(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	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotein 13				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50131530 (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(H,20,22)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50131530 (2-(4-(but-2-ynyloxy)-N-(pyridin-3-ylmethyl)phenyls...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1 Show InChI InChI=1S/C18H19N3O5S/c1-2-3-11-26-16-6-8-17(9-7-16)27(24,25)21(14-18(22)20-23)13-15-5-4-10-19-12-15/h4-10,12,23H,11,13-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 In vitro inhibition of Matrix metalloprotein 1				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair				3D Structure (docked)