BDBM50162730 4-Acetyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid hydroxyamide::CHEMBL180891

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(C)=O

InChI Key: InChIKey=VMMAOHBHWSKMLW-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 = 50162730   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50162730 (4-Acetyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C18H23N3O6S/c1-3-4-12-27-15-6-8-16(9-7-15)28(25,26)21-11-5-10-20(14(2)22)13-17(21)18(23)19-24/h6-9,17,24H,5,10-13H2,1-2H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against matrix metalloproteinase-1 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162730 (4-Acetyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C18H23N3O6S/c1-3-4-12-27-15-6-8-16(9-7-15)28(25,26)21-11-5-10-20(14(2)22)13-17(21)18(23)19-24/h6-9,17,24H,5,10-13H2,1-2H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of TACE (unknown origin) using fluorogenic LAQAVRSSSR peptide as a substrate by fluorometric assay				Citation and Details Article DOI: 10.1007/s00044-010-9385-3 BindingDB Entry DOI: 10.7270/Q2HQ42RQ
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50162730 (4-Acetyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C18H23N3O6S/c1-3-4-12-27-15-6-8-16(9-7-15)28(25,26)21-11-5-10-20(14(2)22)13-17(21)18(23)19-24/h6-9,17,24H,5,10-13H2,1-2H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha converting enzyme at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50162730 (4-Acetyl-1-(4-but-2-ynyloxy-benzenesulfonyl)-[1,4]...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(C)=O Show InChI InChI=1S/C18H23N3O6S/c1-3-4-12-27-15-6-8-16(9-7-15)28(25,26)21-11-5-10-20(14(2)22)13-17(21)18(23)19-24/h6-9,17,24H,5,10-13H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-13 at 1 uM				Bioorg Med Chem Lett 15: 1641-5 (2005) Article DOI: 10.1016/j.bmcl.2005.01.053 BindingDB Entry DOI: 10.7270/Q2930SPX
					More data for this Ligand-Target Pair