BDBM50095583 4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL147004

SMILES: CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1

InChI Key: InChIKey=VBPVZEMPZISXMF-WMLDXEAASA-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 = 50095583   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50095583 (4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/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	7	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
Collagenase 3 (Homo sapiens (Human))	BDBM50095583 (4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/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	1	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50095583 (4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/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	1.65E+4	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50095583 (4-Morpholin-4-yl-1-(4-propoxy-benzenesulfonyl)-pyr...) Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCOCC1 Show InChI InChI=1S/C18H27N3O6S/c1-2-9-27-15-3-5-16(6-4-15)28(24,25)21-13-14(12-17(21)18(22)19-23)20-7-10-26-11-8-20/h3-6,14,17,23H,2,7-13H2,1H3,(H,19,22)/t14-,17+/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	490	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