BDBM50095540 4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL148120

SMILES: CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1

InChI Key: InChIKey=PTGMPWHDIULCAR-PMOQBDJRSA-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 = 50095540   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095540 (4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/m0/s1	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	0.600	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 -2 (gelatinase-A)				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))	BDBM50095540 (4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of 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))	BDBM50095540 (4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/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))	BDBM50095540 (4-[(2-Hydroxy-4-phenyl-butyryl)-propyl-amino]-1-(4...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@@H](O)CCc1ccccc1 Show InChI InChI=1S/C25H33N3O7S/c1-3-15-27(25(31)23(29)14-9-18-7-5-4-6-8-18)19-16-22(24(30)26-32)28(17-19)36(33,34)21-12-10-20(35-2)11-13-21/h4-8,10-13,19,22-23,29,32H,3,9,14-17H2,1-2H3,(H,26,30)/t19-,22+,23-/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	260	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