BDBM50095582 1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL344778

SMILES: CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1

InChI Key: InChIKey=HDBHDPIRGZHXCM-AZUAARDMSA-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 = 50095582   

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))	BDBM50095582 (1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrr...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/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	0.900	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
Matrilysin (Homo sapiens (Human))	BDBM50095582 (1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrr...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/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	9.80E+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
Stromelysin-1 (Homo sapiens (Human))	BDBM50095582 (1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrr...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/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	12	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))	BDBM50095582 (1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrr...) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)N1CCCCC1 Show InChI InChI=1S/C21H33N3O4S/c1-2-3-5-8-17-9-11-19(12-10-17)29(27,28)24-16-18(15-20(24)21(25)22-26)23-13-6-4-7-14-23/h9-12,18,20,26H,2-8,13-16H2,1H3,(H,22,25)/t18-,20+/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	2.00E+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