BDBM50095593 1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylamino)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL149983

SMILES: CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC

InChI Key: InChIKey=YUFOYANNKICWEX-XJKSGUPXSA-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 = 50095593   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50095593 (1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylam...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(25,26)21-11-13(19-17(22)12-27-2)10-16(21)18(23)20-24/h5-8,13,16,24H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,23)/t13-,16+/m0/s1	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50095593 (1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylam...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(25,26)21-11-13(19-17(22)12-27-2)10-16(21)18(23)20-24/h5-8,13,16,24H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,23)/t13-,16+/m0/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -3 (stromelysin)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50095593 (1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylam...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(25,26)21-11-13(19-17(22)12-27-2)10-16(21)18(23)20-24/h5-8,13,16,24H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,23)/t13-,16+/m0/s1	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase -1 (collagenase-1)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50095593 (1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylam...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NC(=O)COC Show InChI InChI=1S/C18H27N3O7S/c1-3-4-9-28-14-5-7-15(8-6-14)29(25,26)21-11-13(19-17(22)12-27-2)10-16(21)18(23)20-24/h5-8,13,16,24H,3-4,9-12H2,1-2H3,(H,19,22)(H,20,23)/t13-,16+/m0/s1	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-7 (matrilysin, MMP-7)				J Med Chem 43: 4948-63 (2001) BindingDB Entry DOI: 10.7270/Q21N80DW
					More data for this Ligand-Target Pair