BDBM50095547 4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methoxy-benzenesulfonyl)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL147804

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

InChI Key: InChIKey=PQPJWKCPMXIWMW-HEHGZKQESA-N

Data: 5 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 5 hits for monomerid = 50095547   

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))	BDBM50095547 (4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,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	2	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50095547 (4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,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	8.50E+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
Interstitial collagenase (Homo sapiens (Human))	BDBM50095547 (4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,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	87	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
Collagenase 3 (Homo sapiens (Human))	BDBM50095547 (4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,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	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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50095547 (4-[(2-Hydroxy-propionyl)-propyl-amino]-1-(4-methox...) Show SMILES CCCN([C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO)C(=O)[C@H](C)O Show InChI InChI=1S/C18H27N3O7S/c1-4-9-20(18(24)12(2)22)13-10-16(17(23)19-25)21(11-13)29(26,27)15-7-5-14(28-3)6-8-15/h5-8,12-13,16,22,25H,4,9-11H2,1-3H3,(H,19,23)/t12-,13-,16+/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	0.700	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 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